CID 96529

1,2,4-trivinylcyclohexane

Structural Information

Molecular Formula

C₁₂H₁₈

SMILES

C=CC1CCC(C(C1)C=C)C=C

InChI

InChI=1S/C12H18/c1-4-10-7-8-11(5-2)12(6-3)9-10/h4-6,10-12H,1-3,7-9H2

InChIKey

KTRQRAQRHBLCSQ-UHFFFAOYSA-N

Compound name

1,2,4-tris(ethenyl)cyclohexane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 4034
Patents: 162.14085 Da
Monoisotopic Mass: 4.3
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]+	163.14813	139.8
[M+Na]+	185.13007	151.4
[M+NH4]+	180.17467	148.7
[M+K]+	201.10401	143.2
[M-H]-	161.13357	142.1
[M+Na-2H]-	183.11552	144.4
[M]+	162.14030	141.9
[M]-	162.14140	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe