CID 163567710

2che3ch

Structural Information

Molecular Formula
C17H30
SMILES
CCCC1CCC(CC1)C2=CCC(CC2)CC
InChI
InChI=1S/C17H30/c1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h10,14-15,17H,3-9,11-13H2,1-2H3
InChIKey
FWPQUVZETPNZDW-UHFFFAOYSA-N
Compound name
4-ethyl-1-(4-propylcyclohexyl)cyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

234.23476 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.24204 160.8
[M+Na]+ 257.22398 162.8
[M-H]- 233.22748 165.5
[M+NH4]+ 252.26858 178.5
[M+K]+ 273.19792 159.3
[M+H-H2O]+ 217.23202 153.5
[M+HCOO]- 279.23296 176.9
[M+CH3COO]- 293.24861 195.2
[M+Na-2H]- 255.20943 160.8
[M]+ 234.23421 154.5
[M]- 234.23531 154.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe