CID 628905

Methyl 3,5-dicyclohexyl-4-hydroxybenzoate

Structural Information

Molecular Formula
C20H28O3
SMILES
COC(=O)C1=CC(=C(C(=C1)C2CCCCC2)O)C3CCCCC3
InChI
InChI=1S/C20H28O3/c1-23-20(22)16-12-17(14-8-4-2-5-9-14)19(21)18(13-16)15-10-6-3-7-11-15/h12-15,21H,2-11H2,1H3
InChIKey
MZMTWFVMIMBDGQ-UHFFFAOYSA-N
Compound name
methyl 3,5-dicyclohexyl-4-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.20386 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.211136 177.7
[M+Na]+ 339.193078 179.0
[M-H]- 315.196584 184.1
[M+NH4]+ 334.237683 190.6
[M+K]+ 355.167018 175.2
[M+H-H2O]+ 299.201120 169.1
[M+HCOO]- 361.202061 191.0
[M+CH3COO]- 375.217711 204.7
[M+Na-2H]- 337.178526 175.3
[M]+ 316.20331142 169.8
[M]- 316.20440858 169.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.