CID 12757

Vinylcyclohexane

Structural Information

Molecular Formula

C₈H₁₄

SMILES

C=CC1CCCCC1

InChI

InChI=1S/C8H14/c1-2-8-6-4-3-5-7-8/h2,8H,1,3-7H2

InChIKey

LDLDYFCCDKENPD-UHFFFAOYSA-N

Compound name

ethenylcyclohexane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 41342
Patents: 110.10955 Da
Monoisotopic Mass: 3.6
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]+	111.11683	124.7
[M+Na]+	133.09877	136.2
[M+NH4]+	128.14337	134.7
[M+K]+	149.07271	128.8
[M-H]-	109.10227	127.5
[M+Na-2H]-	131.08422	130.9
[M]+	110.10900	127.0
[M]-	110.11010	127.0

Literature stripe

literature stripe

Patent stripe

patents stripe