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: 198
Patents: 152.09496 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	153.102236	135.1
[M+Na]+	175.084178	142.4
[M-H]-	151.087684	137.8
[M+NH4]+	170.128783	155.1
[M+K]+	191.058118	140.2
[M+H-H2O]+	135.092220	122.7
[M+HCOO]-	197.093161	154.6
[M+CH3COO]-	211.108811	189.3
[M+Na-2H]-	173.069626	138.5
[M]+	152.09441142	127.0
[M]-	152.09550858	127.0

Literature stripe

literature stripe

Patent stripe

patents stripe