CID 53416198

1229648-09-2

Structural Information

Molecular Formula
C23H28O3
SMILES
CCCC1CCC(CC1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C23H28O3/c1-3-4-17-5-7-18(8-6-17)19-9-15-22(16-10-19)26-23(24)20-11-13-21(25-2)14-12-20/h9-18H,3-8H2,1-2H3
InChIKey
LSVXFMRCYMRCNX-UHFFFAOYSA-N
Compound name
[4-(4-propylcyclohexyl)phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

352.20386 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.21114 187.4
[M+Na]+ 375.19308 190.7
[M-H]- 351.19658 195.6
[M+NH4]+ 370.23768 199.6
[M+K]+ 391.16702 186.6
[M+H-H2O]+ 335.20112 177.5
[M+HCOO]- 397.20206 205.4
[M+CH3COO]- 411.21771 214.8
[M+Na-2H]- 373.17853 186.6
[M]+ 352.20331 186.4
[M]- 352.20441 186.4
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