CID 23396613

Diorcinol

Structural Information

Molecular Formula
C14H14O3
SMILES
CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)O)C)O
InChI
InChI=1S/C14H14O3/c1-9-3-11(15)7-13(5-9)17-14-6-10(2)4-12(16)8-14/h3-8,15-16H,1-2H3
InChIKey
SPCJQQBYWVGMQG-UHFFFAOYSA-N
Compound name
3-(3-hydroxy-5-methylphenoxy)-5-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

18
Patents

230.0943 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.10158 149.3
[M+Na]+ 253.08352 158.7
[M-H]- 229.08702 154.5
[M+NH4]+ 248.12812 166.6
[M+K]+ 269.05746 154.9
[M+H-H2O]+ 213.09156 142.9
[M+HCOO]- 275.09250 171.4
[M+CH3COO]- 289.10815 187.8
[M+Na-2H]- 251.06897 153.7
[M]+ 230.09375 150.7
[M]- 230.09485 150.7
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.