CID 2747679

4-[1-(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]-2,6-dimethylphenol

Structural Information

Molecular Formula
C22H28O2
SMILES
CC1=CC(=CC(=C1O)C)C2(CCCCC2)C3=CC(=C(C(=C3)C)O)C
InChI
InChI=1S/C22H28O2/c1-14-10-18(11-15(2)20(14)23)22(8-6-5-7-9-22)19-12-16(3)21(24)17(4)13-19/h10-13,23-24H,5-9H2,1-4H3
InChIKey
BWCAVNWKMVHLFW-UHFFFAOYSA-N
Compound name
4-[1-(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]-2,6-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

4115
Patents

324.20892 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.216196 179.6
[M+Na]+ 347.198138 186.6
[M-H]- 323.201644 187.0
[M+NH4]+ 342.242743 195.0
[M+K]+ 363.172078 181.0
[M+H-H2O]+ 307.206180 172.0
[M+HCOO]- 369.207121 195.7
[M+CH3COO]- 383.222771 208.8
[M+Na-2H]- 345.183586 178.9
[M]+ 324.20837142 176.5
[M]- 324.20946858 176.5
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

patents stripe