CID 44149204

71617-23-7

Structural Information

Molecular Formula

C₁₄H₂₂

SMILES

C1CC=CC(C1)CCC2CCCC=C2

InChI

InChI=1S/C14H22/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h3,5,7,9,13-14H,1-2,4,6,8,10-12H2

InChIKey

MWESVCMJQLFTIE-UHFFFAOYSA-N

Compound name

3-(2-cyclohex-2-en-1-ylethyl)cyclohexene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 190.17215 Da
Monoisotopic Mass: 5.4
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]+	191.179426	146.1
[M+Na]+	213.161368	148.5
[M-H]-	189.164874	150.9
[M+NH4]+	208.205973	164.9
[M+K]+	229.135308	145.5
[M+H-H2O]+	173.169410	138.9
[M+HCOO]-	235.170351	164.7
[M+CH3COO]-	249.186001	183.6
[M+Na-2H]-	211.146816	150.1
[M]+	190.17160142	139.3
[M]-	190.17269858	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe