CID 77534

2,3-dihydroxy-4-methoxybenzoic acid

Structural Information

Molecular Formula
C8H8O5
SMILES
COC1=C(C(=C(C=C1)C(=O)O)O)O
InChI
InChI=1S/C8H8O5/c1-13-5-3-2-4(8(11)12)6(9)7(5)10/h2-3,9-10H,1H3,(H,11,12)
InChIKey
YGDRPEIHNMXLJM-UHFFFAOYSA-N
Compound name
2,3-dihydroxy-4-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

127
Patents

184.03717 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.044446 133.4
[M+Na]+ 207.026388 142.4
[M-H]- 183.029894 134.1
[M+NH4]+ 202.070993 151.6
[M+K]+ 223.000328 140.8
[M+H-H2O]+ 167.034430 128.6
[M+HCOO]- 229.035371 154.0
[M+CH3COO]- 243.051021 174.7
[M+Na-2H]- 205.011836 137.4
[M]+ 184.03662142 134.4
[M]- 184.03771858 134.4
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

patents stripe