CID 12438035

3-(methylamino)butanenitrile

Structural Information

Molecular Formula
C5H10N2
SMILES
CC(CC#N)NC
InChI
InChI=1S/C5H10N2/c1-5(7-2)3-4-6/h5,7H,3H2,1-2H3
InChIKey
XZFPBAZANKQKHS-UHFFFAOYSA-N
Compound name
3-(methylamino)butanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

98.0844 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.091676 119.7
[M+Na]+ 121.073618 128.0
[M-H]- 97.077124 120.7
[M+NH4]+ 116.118223 140.6
[M+K]+ 137.047558 128.3
[M+H-H2O]+ 81.081660 108.7
[M+HCOO]- 143.082601 140.3
[M+CH3COO]- 157.098251 184.4
[M+Na-2H]- 119.059066 126.2
[M]+ 98.08385142 114.3
[M]- 98.08494858 114.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe