CID 550127

83242-83-5

Structural Information

Molecular Formula
C25H44O2
SMILES
CCCC1CCC(CC1)C2CCC(CC2)C(=O)OC3CCC(CC3)CCC
InChI
InChI=1S/C25H44O2/c1-3-5-19-7-11-21(12-8-19)22-13-15-23(16-14-22)25(26)27-24-17-9-20(6-4-2)10-18-24/h19-24H,3-18H2,1-2H3
InChIKey
ITVBZSWXRMMPFS-UHFFFAOYSA-N
Compound name
(4-propylcyclohexyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

376.33414 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.34142 201.4
[M+Na]+ 399.32336 209.5
[M+NH4]+ 394.36796 209.3
[M+K]+ 415.29730 200.9
[M-H]- 375.32686 206.9
[M+Na-2H]- 397.30881 204.2
[M]+ 376.33359 203.8
[M]- 376.33469 203.8
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