CID 15615

3-(dimethylamino)propanenitrile

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

3409
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]+ 121.07362 126.8
[M-H]- 97.077124 120.3
[M+NH4]+ 116.11822 139.6
[M+K]+ 137.04756 127.8
[M+H-H2O]+ 81.081660 106.8
[M+HCOO]- 143.08260 140.1
[M+CH3COO]- 157.09825 186.9
[M+Na-2H]- 119.05907 125.1
[M]+ 98.083851 114.4
[M]- 98.084949 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