Dimethylaminopropionitrile(1738-25-6) MS
Product NameDimethylaminopropionitrile
CAS1738-25-6
Molecular FormulaC5H10N2
Molecular Weight98.15
InChIInChI=1S/C5H10N2/c1-7(2)5-3-4-6/h3,5H2,1-2H3
InChIKey MTPJEFOSTIKRSS-UHFFFAOYSA-N
SmilesC(#N)CCN(C)C
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MassMS-NW-0579 3-(dimethylamino)propionitrile C5H10N2 (Mass of molecular ion: 98)
Source Temperature: 280 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 7.3 18.0 1.7 26.0 4.2 27.0 3.3 28.0 6.5 29.0 3.2 30.0 11.0 40.0 1.9 41.0 2.9 42.0 20.4 43.0 7.0 44.0 9.1 45.0 2.8 51.0 1.6 52.0 3.7 53.0 3.9 54.0 7.2 56.0 2.2 57.0 6.8 58.0 100.0 59.0 3.9 70.0 1.0 81.0 1.5 97.0 2.3 98.0 4.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C5 H10 N2 0.04 ml : 0.5 ml CDCl3 3-(dimethylamino)propionitrile 
Assign. Shift(ppm)
A 2.62 B 2.49 C 2.286
Hz ppm Int.241.25 2.694 27 235.00 2.624 101 231.06 2.580 79 230.31 2.572 106 227.75 2.543 119 226.88 2.534 108 223.06 2.491 147 216.75 2.421 33 204.75 2.287 1000
in CDCl3
liquid film
