CID 175288

72928-03-1

Structural Information

Molecular Formula
C24H36O2
SMILES
CCCC1CCC(CC1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)CC
InChI
InChI=1S/C24H36O2/c1-3-5-19-8-16-23(17-9-19)26-24(25)22-14-12-21(13-15-22)20-10-6-18(4-2)7-11-20/h12-15,18-20,23H,3-11,16-17H2,1-2H3
InChIKey
HDTDVUVMQFJBQI-UHFFFAOYSA-N
Compound name
(4-propylcyclohexyl) 4-(4-ethylcyclohexyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

356.27155 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.27883 192.3
[M+Na]+ 379.26077 192.2
[M-H]- 355.26427 199.1
[M+NH4]+ 374.30537 204.2
[M+K]+ 395.23471 187.7
[M+H-H2O]+ 339.26881 182.6
[M+HCOO]- 401.26975 205.4
[M+CH3COO]- 415.28540 216.8
[M+Na-2H]- 377.24622 187.9
[M]+ 356.27100 185.9
[M]- 356.27210 185.9
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