CID 44152336

83242-82-4

Structural Information

Molecular Formula
C27H42O2
SMILES
CCCCCC1(CCC(CC1)C(=O)OC2=CC=CC=C2)C3CCC(CC3)CCC
InChI
InChI=1S/C27H42O2/c1-3-5-9-19-27(24-15-13-22(10-4-2)14-16-24)20-17-23(18-21-27)26(28)29-25-11-7-6-8-12-25/h6-8,11-12,22-24H,3-5,9-10,13-21H2,1-2H3
InChIKey
HZNZXHLRNUKZNU-UHFFFAOYSA-N
Compound name
phenyl 4-pentyl-4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.31848 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.32576 206.9
[M+Na]+ 421.30770 217.2
[M+NH4]+ 416.35230 216.2
[M+K]+ 437.28164 205.6
[M-H]- 397.31120 212.9
[M+Na-2H]- 419.29315 213.7
[M]+ 398.31793 210.2
[M]- 398.31903 210.2
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

No patent data available for this compound.