CID 5093205

2-cyano-n-cyclopentylacetamide

Structural Information

Molecular Formula
C8H12N2O
SMILES
C1CCC(C1)NC(=O)CC#N
InChI
InChI=1S/C8H12N2O/c9-6-5-8(11)10-7-3-1-2-4-7/h7H,1-5H2,(H,10,11)
InChIKey
YDHBUMSZDRJWRM-UHFFFAOYSA-N
Compound name
2-cyano-N-cyclopentylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

152.09496 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.10224 137.5
[M+Na]+ 175.08418 145.3
[M+NH4]+ 170.12878 141.9
[M+K]+ 191.05812 138.6
[M-H]- 151.08768 131.2
[M+Na-2H]- 173.06963 138.8
[M]+ 152.09441 135.6
[M]- 152.09551 135.6
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