CID 252259

2,2-bis-(4-hydroxy-3-methylphenyl)-4-methylpentane

Structural Information

Molecular Formula
C20H26O2
SMILES
CC1=C(C=CC(=C1)C(C)(CC(C)C)C2=CC(=C(C=C2)O)C)O
InChI
InChI=1S/C20H26O2/c1-13(2)12-20(5,16-6-8-18(21)14(3)10-16)17-7-9-19(22)15(4)11-17/h6-11,13,21-22H,12H2,1-5H3
InChIKey
RRTAHSFLJWLXKL-UHFFFAOYSA-N
Compound name
4-[2-(4-hydroxy-3-methylphenyl)-4-methylpentan-2-yl]-2-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

143
Patents

298.19327 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.20055 172.7
[M+Na]+ 321.18249 179.6
[M-H]- 297.18599 177.2
[M+NH4]+ 316.22709 187.3
[M+K]+ 337.15643 175.0
[M+H-H2O]+ 281.19053 166.2
[M+HCOO]- 343.19147 189.9
[M+CH3COO]- 357.20712 205.0
[M+Na-2H]- 319.16794 173.5
[M]+ 298.19272 173.6
[M]- 298.19382 173.6
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