CID 20135153

94732-93-1

Structural Information

Molecular Formula
C27H48O2
SMILES
CCCCCC1CCC(CC1)C2CCC(CC2)C(=O)OC3CCC(CC3)CCC
InChI
InChI=1S/C27H48O2/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/h21-26H,3-20H2,1-2H3
InChIKey
OVFOZIMLZLERHF-UHFFFAOYSA-N
Compound name
(4-propylcyclohexyl) 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

404.36542 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.37270 209.5
[M+Na]+ 427.35464 205.1
[M-H]- 403.35814 214.4
[M+NH4]+ 422.39924 219.1
[M+K]+ 443.32858 200.4
[M+H-H2O]+ 387.36268 199.4
[M+HCOO]- 449.36362 217.1
[M+CH3COO]- 463.37927 226.9
[M+Na-2H]- 425.34009 200.5
[M]+ 404.36487 199.8
[M]- 404.36597 199.8
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