CID 176472485

2,3-dihydroxy-4-[4-(methoxymethyl)phenoxy]benzoic acid

Structural Information

Molecular Formula
C15H14O6
SMILES
COCC1=CC=C(C=C1)OC2=C(C(=C(C=C2)C(=O)O)O)O
InChI
InChI=1S/C15H14O6/c1-20-8-9-2-4-10(5-3-9)21-12-7-6-11(15(18)19)13(16)14(12)17/h2-7,16-17H,8H2,1H3,(H,18,19)
InChIKey
DWBFWKOFTQUFGH-UHFFFAOYSA-N
Compound name
2,3-dihydroxy-4-[4-(methoxymethyl)phenoxy]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.07904 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.086316 161.9
[M+Na]+ 313.068258 169.6
[M-H]- 289.071764 165.4
[M+NH4]+ 308.112863 175.4
[M+K]+ 329.042198 166.9
[M+H-H2O]+ 273.076300 154.7
[M+HCOO]- 335.077241 181.7
[M+CH3COO]- 349.092891 195.4
[M+Na-2H]- 311.053706 164.2
[M]+ 290.07849142 164.6
[M]- 290.07958858 164.6
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

No patent data available for this compound.