1-(3-氨基丙基)咪唑(5036-48-6)質譜(MS)

產品名稱:1-(3-氨基丙基)咪唑

CAS:5036-48-6

分子式:C6H11N3

分子量: 125.17

InChI:InChI=1S/C6H11N3/c7-2-1-4-9-5-3-8-6-9/h3,5-6H,1-2,4,7H2

InChIKey: KDHWOCLBMVSZPG-UHFFFAOYSA-N

Smiles:C1N(CCCN)C=CN=1

Mass

MS-IW-2618          
3-(1-imidazolyl)propylamine
C6H11N3             (Mass of molecular ion:    125)

   Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      15.0       1.3
      26.0       2.8
      27.0       7.2
      28.0      18.0
      29.0       2.6
      30.0      49.7
      31.0       1.6
      39.0       4.3
      40.0       7.2
      41.0      15.5
      42.0       8.5
      43.0       4.2
      44.0       3.0
      52.0       2.9
      53.0       1.9
      54.0      13.8
      55.0      35.4
      56.0      10.8
      57.0       3.4
      67.0       2.1
      68.0      26.5
      69.0      21.8
      70.0       1.6
      80.0       2.0
      81.0      31.3
      82.0     100.0
      83.0       6.4
      95.0       9.0
      96.0       5.9
     107.0       3.1
     108.0       1.7
     125.0       7.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₁₁ N₃	0.05 ml : 0.5 ml CDCl₃
3-(1-imidazolyl)propylamine

    Assign.     Shift(ppm)

      A             7.69
      B             7.468
      C             7.006
      D             6.933
      E             4.010
      F             2.636
      G             1.846

     Hz     ppm     Int.

   3073.12   7.690   1000
   2984.86   7.469    273
   2800.90   7.009    230
   2799.93   7.006    337
   2798.83   7.004    233
   2772.22   6.937    229
   2771.00   6.934    345
   2769.65   6.931    208
   1609.86   4.029    262
   1602.91   4.011    437
   1595.83   3.994    260
   1060.55   2.654    298
   1053.83   2.637    530
   1047.00   2.620    305
    751.59   1.881     92
    744.75   1.864    284
    737.79   1.847    373
    730.83   1.829    273
    724.00   1.812     85

in CDCl3