CID 458143

3,3'-bi-p-cresol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

214.09938 Da
Monoisotopic Mass

3.6
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.