CID 69167

[1,1'-biphenyl]-4,4'-diol, 3,3'-dimethyl-

Structural Information

Molecular Formula
C14H14O2
SMILES
CC1=C(C=CC(=C1)C2=CC(=C(C=C2)O)C)O
InChI
InChI=1S/C14H14O2/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12/h3-8,15-16H,1-2H3
InChIKey
WUGKVYDVIGOPSI-UHFFFAOYSA-N
Compound name
4-(4-hydroxy-3-methylphenyl)-2-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2619
Patents

214.09938 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.10666 145.9
[M+Na]+ 237.08860 155.5
[M-H]- 213.09210 151.2
[M+NH4]+ 232.13320 164.0
[M+K]+ 253.06254 151.1
[M+H-H2O]+ 197.09664 139.9
[M+HCOO]- 259.09758 167.8
[M+CH3COO]- 273.11323 185.7
[M+Na-2H]- 235.07405 150.3
[M]+ 214.09883 145.9
[M]- 214.09993 145.9
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