Dimethylaminopropionitrile(1738-25-6) MS

Product NameDimethylaminopropionitrile

CAS 1738-25-6

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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Mass

MS-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

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