CID 14227512

88038-92-0

Structural Information

Molecular Formula
C31H48O2
SMILES
CCCC1CCC(CC1)C2CCC(CC2)C(=O)OC3=CC=C(C=C3)C4CCC(CC4)CCC
InChI
InChI=1S/C31H48O2/c1-3-5-23-7-11-25(12-8-23)27-15-17-29(18-16-27)31(32)33-30-21-19-28(20-22-30)26-13-9-24(6-4-2)10-14-26/h19-27,29H,3-18H2,1-2H3
InChIKey
OJUPRLOTNSQRBL-UHFFFAOYSA-N
Compound name
[4-(4-propylcyclohexyl)phenyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

200
Patents

452.36542 Da
Monoisotopic Mass

11.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.37270 221.8
[M+Na]+ 475.35464 231.9
[M+NH4]+ 470.39924 229.8
[M+K]+ 491.32858 221.7
[M-H]- 451.35814 229.9
[M+Na-2H]- 473.34009 226.9
[M]+ 452.36487 225.4
[M]- 452.36597 225.4
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