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

11
Patents

370.28717 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.294446 196.7
[M+Na]+ 393.276388 196.2
[M-H]- 369.279894 203.3
[M+NH4]+ 388.320993 208.0
[M+K]+ 409.250328 191.5
[M+H-H2O]+ 353.284430 186.8
[M+HCOO]- 415.285371 209.4
[M+CH3COO]- 429.301021 219.8
[M+Na-2H]- 391.261836 191.8
[M]+ 370.28662142 190.7
[M]- 370.28771858 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