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

16
Patents

230.0943 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.101576 149.3
[M+Na]+ 253.083518 158.7
[M-H]- 229.087024 154.5
[M+NH4]+ 248.128123 166.6
[M+K]+ 269.057458 154.9
[M+H-H2O]+ 213.091560 142.9
[M+HCOO]- 275.092501 171.4
[M+CH3COO]- 289.108151 187.8
[M+Na-2H]- 251.068966 153.7
[M]+ 230.09375142 150.7
[M]- 230.09484858 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

literature stripe

Patent stripe

patents stripe