CID 538565

N-(4-oxocyclohexyl)acetamide

Structural Information

Molecular Formula

C₈H₁₃NO₂

SMILES

CC(=O)NC1CCC(=O)CC1

InChI

InChI=1S/C8H13NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h7H,2-5H2,1H3,(H,9,10)

InChIKey

WZEMYWNHKFIVKE-UHFFFAOYSA-N

Compound name

N-(4-oxocyclohexyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 310
Patents: 155.09464 Da
Monoisotopic Mass: -0.2
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]+	156.10192	133.7
[M+Na]+	178.08386	143.0
[M+NH4]+	173.12846	141.6
[M+K]+	194.05780	138.0
[M-H]-	154.08736	135.1
[M+Na-2H]-	176.06931	137.9
[M]+	155.09409	135.0
[M]-	155.09519	135.0

Literature stripe

literature stripe

Patent stripe

patents stripe