CID 15615

1738-25-6

Structural Information

Molecular Formula
C5H10N2
SMILES
CN(C)CCC#N
InChI
InChI=1S/C5H10N2/c1-7(2)5-3-4-6/h3,5H2,1-2H3
InChIKey
MTPJEFOSTIKRSS-UHFFFAOYSA-N
Compound name
3-(dimethylamino)propanenitrile
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

18
References

3713
Patents

98.0844 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.091676 118.1
[M+Na]+ 121.073618 126.8
[M-H]- 97.077124 120.3
[M+NH4]+ 116.118223 139.6
[M+K]+ 137.047558 127.8
[M+H-H2O]+ 81.081660 106.8
[M+HCOO]- 143.082601 140.1
[M+CH3COO]- 157.098251 186.9
[M+Na-2H]- 119.059066 125.1
[M]+ 98.08385142 114.4
[M]- 98.08494858 114.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe