CID 587989

2-oxocyclohexanecarboxamide

Structural Information

Molecular Formula

C₇H₁₁NO₂

SMILES

C1CCC(=O)C(C1)C(=O)N

InChI

InChI=1S/C7H11NO2/c8-7(10)5-3-1-2-4-6(5)9/h5H,1-4H2,(H2,8,10)

InChIKey

VEJFDOHDNHTOHW-UHFFFAOYSA-N

Compound name

2-oxocyclohexane-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 60
Patents: 141.07898 Da
Monoisotopic Mass: 0.6
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]+	142.08626	128.4
[M+Na]+	164.06820	133.8
[M-H]-	140.07170	131.0
[M+NH4]+	159.11280	149.1
[M+K]+	180.04214	133.0
[M+H-H2O]+	124.07624	123.0
[M+HCOO]-	186.07718	149.4
[M+CH3COO]-	200.09283	174.8
[M+Na-2H]-	162.05365	131.9
[M]+	141.07843	122.6
[M]-	141.07953	122.6

Literature stripe

literature stripe

Patent stripe

patents stripe