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

134
Patents

140.09496 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.10224 131.5
[M+Na]+ 163.08418 139.1
[M-H]- 139.08768 132.3
[M+NH4]+ 158.12878 150.7
[M+K]+ 179.05812 139.2
[M+H-H2O]+ 123.09222 120.0
[M+HCOO]- 185.09316 151.0
[M+CH3COO]- 199.10881 190.9
[M+Na-2H]- 161.06963 135.6
[M]+ 140.09441 126.7
[M]- 140.09551 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