CID 138557

Ethenylidenecyclohexane

Structural Information

Molecular Formula

C₈H₁₂

SMILES

C=C=C1CCCCC1

InChI

InChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h1,3-7H2

InChIKey

HZHTYEIEGPBKKS-UHFFFAOYSA-N

Compound name

ethenylidenecyclohexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 156
Patents: 108.0939 Da
Monoisotopic Mass: 2.2
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	122.3
[M+Na]+	131.08312	127.6
[M-H]-	107.08662	125.1
[M+NH4]+	126.12772	145.0
[M+K]+	147.05706	125.7
[M+H-H2O]+	91.091160	117.4
[M+HCOO]-	153.09210	143.2
[M+CH3COO]-	167.10775	167.1
[M+Na-2H]-	129.06857	128.2
[M]+	108.09335	116.0
[M]-	108.09445	116.0

Literature stripe

literature stripe

Patent stripe

patents stripe