CID 14502

Methylenecyclohexane

Structural Information

Molecular Formula

C₇H₁₂

SMILES

C=C1CCCCC1

InChI

InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h1-6H2

InChIKey

YULMNMJFAZWLLN-UHFFFAOYSA-N

Compound name

methylidenecyclohexane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 15
References: 3690
Patents: 96.0939 Da
Monoisotopic Mass: 2.6
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	120.2
[M+Na]+	119.08312	132.0
[M+NH4]+	114.12772	130.4
[M+K]+	135.05706	124.7
[M-H]-	95.086624	123.1
[M+Na-2H]-	117.06857	126.7
[M]+	96.093351	122.6
[M]-	96.094449	122.6

Literature stripe

literature stripe

Patent stripe

patents stripe