CID 253176

51742-11-1

Structural Information

Molecular Formula

C₉H₁₂O₂

SMILES

CC1=CC(=O)C(CC1)C(=O)C

InChI

InChI=1S/C9H12O2/c1-6-3-4-8(7(2)10)9(11)5-6/h5,8H,3-4H2,1-2H3

InChIKey

CRHGSBGMOSDOKP-UHFFFAOYSA-N

Compound name

6-acetyl-3-methylcyclohex-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 152.08372 Da
Monoisotopic Mass: 0.8
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]+	153.09100	131.5
[M+Na]+	175.07294	143.3
[M+NH4]+	170.11754	139.9
[M+K]+	191.04688	137.7
[M-H]-	151.07644	133.0
[M+Na-2H]-	173.05839	136.7
[M]+	152.08317	133.5
[M]-	152.08427	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe