CID 557581

89129-90-8

Structural Information

Molecular Formula
C26H46O2
SMILES
CCCCC1CCC(CC1)C2CCC(CC2)C(=O)OC3CCC(CC3)CCC
InChI
InChI=1S/C26H46O2/c1-3-5-7-21-8-12-22(13-9-21)23-14-16-24(17-15-23)26(27)28-25-18-10-20(6-4-2)11-19-25/h20-25H,3-19H2,1-2H3
InChIKey
OXTIAPDLMJSXLF-UHFFFAOYSA-N
Compound name
(4-propylcyclohexyl) 4-(4-butylcyclohexyl)cyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

390.3498 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.35708 205.7
[M+Na]+ 413.33902 213.6
[M+NH4]+ 408.38362 213.5
[M+K]+ 429.31296 204.8
[M-H]- 389.34252 211.1
[M+Na-2H]- 411.32447 208.3
[M]+ 390.34925 208.1
[M]- 390.35035 208.1
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