CID 88592799

4-formyl-3,5-dimethoxybenzoic acid

Structural Information

Molecular Formula
C10H10O5
SMILES
COC1=CC(=CC(=C1C=O)OC)C(=O)O
InChI
InChI=1S/C10H10O5/c1-14-8-3-6(10(12)13)4-9(15-2)7(8)5-11/h3-5H,1-2H3,(H,12,13)
InChIKey
PDLBXFLJCWYMCA-UHFFFAOYSA-N
Compound name
4-formyl-3,5-dimethoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

210.05283 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.06011 139.4
[M+Na]+ 233.04205 148.8
[M-H]- 209.04555 142.6
[M+NH4]+ 228.08665 158.0
[M+K]+ 249.01599 147.9
[M+H-H2O]+ 193.05009 133.9
[M+HCOO]- 255.05103 162.7
[M+CH3COO]- 269.06668 184.7
[M+Na-2H]- 231.02750 143.6
[M]+ 210.05228 144.3
[M]- 210.05338 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

No literature data available for this compound.

Patent stripe

patents stripe