CID 11572

4-methylcyclohexene

Structural Information

Molecular Formula

C₇H₁₂

SMILES

CC1CCC=CC1

InChI

InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h2-3,7H,4-6H2,1H3

InChIKey

FSWCCQWDVGZMRD-UHFFFAOYSA-N

Compound name

4-methylcyclohexene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 3644
Patents: 96.0939 Da
Monoisotopic Mass: 2.7
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]+	97.101176	118.1
[M+Na]+	119.08312	124.2
[M-H]-	95.086624	121.4
[M+NH4]+	114.12772	141.4
[M+K]+	135.05706	123.6
[M+H-H2O]+	79.091160	113.2
[M+HCOO]-	141.09210	140.5
[M+CH3COO]-	155.10775	166.2
[M+Na-2H]-	117.06857	125.6
[M]+	96.093351	114.4
[M]-	96.094449	114.4

Literature stripe

literature stripe

Patent stripe

patents stripe