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]+	154.086256	130.6
[M+Na]+	176.068198	136.8
[M-H]-	152.071704	134.1
[M+NH4]+	171.112803	151.4
[M+K]+	192.042138	135.9
[M+H-H2O]+	136.076240	125.1
[M+HCOO]-	198.077181	153.5
[M+CH3COO]-	212.092831	177.4
[M+Na-2H]-	174.053646	135.8
[M]+	153.07843142	127.7
[M]-	153.07952858	127.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe