CID 23334935

84207-06-7

Structural Information

Molecular Formula
C25H38O2
SMILES
CCCC1CCC(CC1)C2=CC=C(C=C2)OC(=O)C3CCC(CC3)CCC
InChI
InChI=1S/C25H38O2/c1-3-5-19-7-11-21(12-8-19)22-15-17-24(18-16-22)27-25(26)23-13-9-20(6-4-2)10-14-23/h15-21,23H,3-14H2,1-2H3
InChIKey
UZJWKZVGCKRFQL-UHFFFAOYSA-N
Compound name
[4-(4-propylcyclohexyl)phenyl] 4-propylcyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

370.28717 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.29445 196.7
[M+Na]+ 393.27639 196.2
[M-H]- 369.27989 203.3
[M+NH4]+ 388.32099 208.0
[M+K]+ 409.25033 191.5
[M+H-H2O]+ 353.28443 186.8
[M+HCOO]- 415.28537 209.4
[M+CH3COO]- 429.30102 219.8
[M+Na-2H]- 391.26184 191.8
[M]+ 370.28662 190.7
[M]- 370.28772 190.7
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