CID 86582

17527-28-5

Structural Information

Molecular Formula

C₁₄H₂₀

SMILES

C1CC(CC=C1)C=CC2CCC=CC2

InChI

InChI=1S/C14H20/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-3,5,11-14H,4,6-10H2

InChIKey

JLAKTYIHPZLLKX-UHFFFAOYSA-N

Compound name

4-(2-cyclohex-3-en-1-ylethenyl)cyclohexene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 61
Patents: 188.1565 Da
Monoisotopic Mass: 4.4
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]+	189.163776	145.1
[M+Na]+	211.145718	147.9
[M-H]-	187.149224	150.0
[M+NH4]+	206.190323	164.0
[M+K]+	227.119658	144.3
[M+H-H2O]+	171.153760	138.0
[M+HCOO]-	233.154701	163.9
[M+CH3COO]-	247.170351	182.1
[M+Na-2H]-	209.131166	149.1
[M]+	188.15595142	137.5
[M]-	188.15704858	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe