CID 4586567

2-cyano-n-(2-methylpropyl)acetamide

Structural Information

Molecular Formula
C7H12N2O
SMILES
CC(C)CNC(=O)CC#N
InChI
InChI=1S/C7H12N2O/c1-6(2)5-9-7(10)3-4-8/h6H,3,5H2,1-2H3,(H,9,10)
InChIKey
YCGSMOIWEZRTSG-UHFFFAOYSA-N
Compound name
2-cyano-N-(2-methylpropyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

173
Patents

140.09496 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.102236 131.5
[M+Na]+ 163.084178 139.1
[M-H]- 139.087684 132.3
[M+NH4]+ 158.128783 150.7
[M+K]+ 179.058118 139.2
[M+H-H2O]+ 123.092220 120.0
[M+HCOO]- 185.093161 151.0
[M+CH3COO]- 199.108811 190.9
[M+Na-2H]- 161.069626 135.6
[M]+ 140.09441142 126.7
[M]- 140.09550858 126.7
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