CID 175348

72983-69-8

Structural Information

Molecular Formula
C25H38O2
SMILES
CCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)CCC
InChI
InChI=1S/C25H38O2/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/h13-16,19-21,24H,3-12,17-18H2,1-2H3
InChIKey
DABPIGVWYIYREQ-UHFFFAOYSA-N
Compound name
(4-propylcyclohexyl) 4-(4-propylcyclohexyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

370.28717 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.29445 197.4
[M+Na]+ 393.27639 208.4
[M+NH4]+ 388.32099 205.6
[M+K]+ 409.25033 199.2
[M-H]- 369.27989 203.6
[M+Na-2H]- 391.26184 203.0
[M]+ 370.28662 200.7
[M]- 370.28772 200.7
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