CID 75386

Phenol, 4,4'-cyclohexylidenebis[2-methyl-

Structural Information

Molecular Formula
C20H24O2
SMILES
CC1=C(C=CC(=C1)C2(CCCCC2)C3=CC(=C(C=C3)O)C)O
InChI
InChI=1S/C20H24O2/c1-14-12-16(6-8-18(14)21)20(10-4-3-5-11-20)17-7-9-19(22)15(2)13-17/h6-9,12-13,21-22H,3-5,10-11H2,1-2H3
InChIKey
SVOBELCYOCEECO-UHFFFAOYSA-N
Compound name
4-[1-(4-hydroxy-3-methylphenyl)cyclohexyl]-2-methylphenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

7594
Patents

296.17764 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.18492 172.0
[M+Na]+ 319.16686 178.1
[M-H]- 295.17036 179.0
[M+NH4]+ 314.21146 187.9
[M+K]+ 335.14080 172.7
[M+H-H2O]+ 279.17490 164.3
[M+HCOO]- 341.17584 188.8
[M+CH3COO]- 355.19149 182.3
[M+Na-2H]- 317.15231 173.6
[M]+ 296.17709 167.4
[M]- 296.17819 167.4
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