CID 7499

4-vinylcyclohexene

Structural Information

Molecular Formula

C₈H₁₂

SMILES

C=CC1CCC=CC1

InChI

InChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2-4,8H,1,5-7H2

InChIKey

BBDKZWKEPDTENS-UHFFFAOYSA-N

Compound name

4-ethenylcyclohexene

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 118
References: 18898
Patents: 108.0939 Da
Monoisotopic Mass: 2.8
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]+	109.10118	121.3
[M+Na]+	131.08312	127.4
[M-H]-	107.08662	124.4
[M+NH4]+	126.12772	144.1
[M+K]+	147.05706	125.8
[M+H-H2O]+	91.091160	116.3
[M+HCOO]-	153.09210	143.6
[M+CH3COO]-	167.10775	168.3
[M+Na-2H]-	129.06857	128.3
[M]+	108.09335	117.3
[M]-	108.09445	117.3

Literature stripe

literature stripe

Patent stripe

patents stripe