CID 9923946

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

Structural Information

Molecular Formula
C23H30O2
SMILES
CC1=CC(=C(C(=C1)C(C2CCCCC2)C3=CC(=CC(=C3O)C)C)O)C
InChI
InChI=1S/C23H30O2/c1-14-10-16(3)22(24)19(12-14)21(18-8-6-5-7-9-18)20-13-15(2)11-17(4)23(20)25/h10-13,18,21,24-25H,5-9H2,1-4H3
InChIKey
DGRIDFGUGOEKPM-UHFFFAOYSA-N
Compound name
2-[cyclohexyl-(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

338.22458 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.23186 184.3
[M+Na]+ 361.21380 189.5
[M-H]- 337.21730 191.1
[M+NH4]+ 356.25840 196.9
[M+K]+ 377.18774 183.9
[M+H-H2O]+ 321.22184 176.2
[M+HCOO]- 383.22278 199.0
[M+CH3COO]- 397.23843 213.1
[M+Na-2H]- 359.19925 180.7
[M]+ 338.22403 180.6
[M]- 338.22513 180.6
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