CID 68210

6-formyl-2,3-dimethoxybenzoic acid

Structural Information

Molecular Formula
C10H10O5
SMILES
COC1=C(C(=C(C=C1)C=O)C(=O)O)OC
InChI
InChI=1S/C10H10O5/c1-14-7-4-3-6(5-11)8(10(12)13)9(7)15-2/h3-5H,1-2H3,(H,12,13)
InChIKey
HVXXOIGTXJOVON-UHFFFAOYSA-N
Compound name
6-formyl-2,3-dimethoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

144
Patents

210.05283 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.060106 139.4
[M+Na]+ 233.042048 148.8
[M-H]- 209.045554 142.6
[M+NH4]+ 228.086653 158.0
[M+K]+ 249.015988 147.9
[M+H-H2O]+ 193.050090 133.9
[M+HCOO]- 255.051031 162.7
[M+CH3COO]- 269.066681 184.7
[M+Na-2H]- 231.027496 143.6
[M]+ 210.05228142 144.3
[M]- 210.05337858 144.3
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