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

144
Patents

298.19327 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.200546 172.7
[M+Na]+ 321.182488 179.6
[M-H]- 297.185994 177.2
[M+NH4]+ 316.227093 187.3
[M+K]+ 337.156428 175.0
[M+H-H2O]+ 281.190530 166.2
[M+HCOO]- 343.191471 189.9
[M+CH3COO]- 357.207121 205.0
[M+Na-2H]- 319.167936 173.5
[M]+ 298.19272142 173.6
[M]- 298.19381858 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