CID 136887

2-methyl-2-cyclohexen-1-one

Structural Information

Molecular Formula

C₇H₁₀O

SMILES

CC1=CCCCC1=O

InChI

InChI=1S/C7H10O/c1-6-4-2-3-5-7(6)8/h4H,2-3,5H2,1H3

InChIKey

LKTNAAYQZJAXCJ-UHFFFAOYSA-N

Compound name

2-methylcyclohex-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 440
Patents: 110.073166 Da
Monoisotopic Mass: 1.3
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]+	111.08044	120.6
[M+Na]+	133.06238	133.2
[M+NH4]+	128.10699	130.4
[M+K]+	149.03632	126.6
[M-H]-	109.06589	123.2
[M+Na-2H]-	131.04783	127.5
[M]+	110.07262	123.1
[M]-	110.07371	123.1

Literature stripe

literature stripe

Patent stripe

patents stripe