CID 2751403

N-(3-oxocyclohex-1-en-1-yl)acetamide

Structural Information

Molecular Formula

C₈H₁₁NO₂

SMILES

CC(=O)NC1=CC(=O)CCC1

InChI

InChI=1S/C8H11NO2/c1-6(10)9-7-3-2-4-8(11)5-7/h5H,2-4H2,1H3,(H,9,10)

InChIKey

DFXMZJIZWYNSBP-UHFFFAOYSA-N

Compound name

N-(3-oxocyclohexen-1-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 153.07898 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]+	154.08626	132.0
[M+Na]+	176.06820	142.3
[M+NH4]+	171.11280	140.0
[M+K]+	192.04214	137.1
[M-H]-	152.07170	133.7
[M+Na-2H]-	174.05365	137.2
[M]+	153.07843	133.6
[M]-	153.07953	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe