CID 14227513

115978-59-1

Structural Information

Molecular Formula
C32H50O2
SMILES
CCCCC1CCC(CC1)C2=CC=C(C=C2)OC(=O)C3CCC(CC3)C4CCC(CC4)CCC
InChI
InChI=1S/C32H50O2/c1-3-5-7-25-10-14-27(15-11-25)29-20-22-31(23-21-29)34-32(33)30-18-16-28(17-19-30)26-12-8-24(6-4-2)9-13-26/h20-28,30H,3-19H2,1-2H3
InChIKey
LCOGJPXBBIRCAF-UHFFFAOYSA-N
Compound name
[4-(4-butylcyclohexyl)phenyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

166
Patents

466.38107 Da
Monoisotopic Mass

12.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.38835 224.2
[M+Na]+ 489.37029 219.5
[M-H]- 465.37379 231.7
[M+NH4]+ 484.41489 230.6
[M+K]+ 505.34423 213.4
[M+H-H2O]+ 449.37833 212.0
[M+HCOO]- 511.37927 231.1
[M+CH3COO]- 525.39492 238.6
[M+Na-2H]- 487.35574 214.0
[M]+ 466.38052 213.6
[M]- 466.38162 213.6
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