CID 74709

3-hydroxy-4,5-dimethoxybenzoic acid

Structural Information

Molecular Formula
C9H10O5
SMILES
COC1=CC(=CC(=C1OC)O)C(=O)O
InChI
InChI=1S/C9H10O5/c1-13-7-4-5(9(11)12)3-6(10)8(7)14-2/h3-4,10H,1-2H3,(H,11,12)
InChIKey
WFIBQVFJXGQICQ-UHFFFAOYSA-N
Compound name
3-hydroxy-4,5-dimethoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

394
Patents

198.05283 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.06011 137.2
[M+Na]+ 221.04205 146.2
[M-H]- 197.04555 139.1
[M+NH4]+ 216.08665 155.6
[M+K]+ 237.01599 145.3
[M+H-H2O]+ 181.05009 132.0
[M+HCOO]- 243.05103 159.0
[M+CH3COO]- 257.06668 180.1
[M+Na-2H]- 219.02750 141.2
[M]+ 198.05228 140.4
[M]- 198.05338 140.4
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