CID 21662229

883267-62-7

Structural Information

Molecular Formula

C₁₆H₂₈

SMILES

CCC1CCC(CC1)C2CCC(CC2)C=C

InChI

InChI=1S/C16H28/c1-3-13-5-9-15(10-6-13)16-11-7-14(4-2)8-12-16/h3,13-16H,1,4-12H2,2H3

InChIKey

DAWASSOYJAUGDK-UHFFFAOYSA-N

Compound name

1-ethenyl-4-(4-ethylcyclohexyl)cyclohexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 88
Patents: 220.2191 Da
Monoisotopic Mass: 6.9
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]+	221.22638	156.9
[M+Na]+	243.20832	158.5
[M-H]-	219.21182	161.4
[M+NH4]+	238.25292	174.9
[M+K]+	259.18226	154.9
[M+H-H2O]+	203.21636	149.8
[M+HCOO]-	265.21730	172.0
[M+CH3COO]-	279.23295	191.7
[M+Na-2H]-	241.19377	156.3
[M]+	220.21855	148.0
[M]-	220.21965	148.0

Literature stripe

literature stripe

Patent stripe

patents stripe