CID 175349

72983-70-1

Structural Information

Molecular Formula
C27H42O2
SMILES
CCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)CCC
InChI
InChI=1S/C27H42O2/c1-3-5-6-8-22-9-13-23(14-10-22)24-15-17-25(18-16-24)27(28)29-26-19-11-21(7-4-2)12-20-26/h15-18,21-23,26H,3-14,19-20H2,1-2H3
InChIKey
PEXDPLSTNBSZFP-UHFFFAOYSA-N
Compound name
(4-propylcyclohexyl) 4-(4-pentylcyclohexyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

398.31848 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.32576 206.3
[M+Na]+ 421.30770 216.8
[M+NH4]+ 416.35230 214.1
[M+K]+ 437.28164 207.1
[M-H]- 397.31120 212.3
[M+Na-2H]- 419.29315 211.3
[M]+ 398.31793 209.4
[M]- 398.31903 209.4
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