CID 12097469

Dtxsid20921900

Structural Information

Molecular Formula
C17H30
SMILES
CCCC1CCC(CC1)C2CCC(CC2)C=C
InChI
InChI=1S/C17H30/c1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h4,14-17H,2-3,5-13H2,1H3
InChIKey
KHDBEDDPFRHGCN-UHFFFAOYSA-N
Compound name
1-ethenyl-4-(4-propylcyclohexyl)cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

566
Patents

234.23476 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.24204 161.4
[M+Na]+ 257.22398 162.6
[M-H]- 233.22748 165.6
[M+NH4]+ 252.26858 178.8
[M+K]+ 273.19792 158.7
[M+H-H2O]+ 217.23202 154.1
[M+HCOO]- 279.23296 176.2
[M+CH3COO]- 293.24861 194.7
[M+Na-2H]- 255.20943 160.2
[M]+ 234.23421 152.8
[M]- 234.23531 152.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe