CID 169544714

193893-77-5

Structural Information

Molecular Formula
C26H46O2
SMILES
CCCCC1CCC(CC1)C(=O)OC2CCC(CC2)C3CCC(CC3)CCC
InChI
InChI=1S/C26H46O2/c1-3-5-7-21-10-14-24(15-11-21)26(27)28-25-18-16-23(17-19-25)22-12-8-20(6-4-2)9-13-22/h20-25H,3-19H2,1-2H3
InChIKey
XGTWQJICWVYHJQ-UHFFFAOYSA-N
Compound name
[4-(4-propylcyclohexyl)cyclohexyl] 4-butylcyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 205.2
[M+Na]+ 413.33902 201.2
[M-H]- 389.34252 210.4
[M+NH4]+ 408.38362 215.4
[M+K]+ 429.31296 196.8
[M+H-H2O]+ 373.34706 195.3
[M+HCOO]- 435.34800 213.2
[M+CH3COO]- 449.36365 224.0
[M+Na-2H]- 411.32447 196.8
[M]+ 390.34925 195.2
[M]- 390.35035 195.2
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.