CID 21057512

3bchcaa2chp

Structural Information

Molecular Formula
C30H46O2
SMILES
CCCC1CCC(CC1)C2CCC(CC2)C(=O)OC3=CC=C(C=C3)C4CCC(CC4)CC
InChI
InChI=1S/C30H46O2/c1-3-5-23-8-12-25(13-9-23)26-14-16-28(17-15-26)30(31)32-29-20-18-27(19-21-29)24-10-6-22(4-2)7-11-24/h18-26,28H,3-17H2,1-2H3
InChIKey
SDEIDIYASCTASZ-UHFFFAOYSA-N
Compound name
[4-(4-ethylcyclohexyl)phenyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

438.3498 Da
Monoisotopic Mass

10.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.35708 215.7
[M+Na]+ 461.33902 212.0
[M-H]- 437.34252 223.8
[M+NH4]+ 456.38362 223.4
[M+K]+ 477.31296 206.3
[M+H-H2O]+ 421.34706 204.0
[M+HCOO]- 483.34800 223.4
[M+CH3COO]- 497.36365 232.9
[M+Na-2H]- 459.32447 206.6
[M]+ 438.34925 204.5
[M]- 438.35035 204.5
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