CID 254945

2-cyano-4-methylpentanamide

Structural Information

Molecular Formula
C7H12N2O
SMILES
CC(C)CC(C#N)C(=O)N
InChI
InChI=1S/C7H12N2O/c1-5(2)3-6(4-8)7(9)10/h5-6H,3H2,1-2H3,(H2,9,10)
InChIKey
PJQAIWUMMUVJTR-UHFFFAOYSA-N
Compound name
2-cyano-4-methylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

140.09496 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.10224 133.3
[M+Na]+ 163.08418 140.6
[M-H]- 139.08768 133.6
[M+NH4]+ 158.12878 152.1
[M+K]+ 179.05812 140.8
[M+H-H2O]+ 123.09222 121.8
[M+HCOO]- 185.09316 151.3
[M+CH3COO]- 199.10881 191.7
[M+Na-2H]- 161.06963 135.1
[M]+ 140.09441 127.0
[M]- 140.09551 127.0
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