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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	211.06011	142.1
[M+Na]+	233.04205	153.9
[M+NH4]+	228.08665	148.3
[M+K]+	249.01599	149.8
[M-H]-	209.04555	141.9
[M+Na-2H]-	231.02750	146.5
[M]+	210.05228	143.5
[M]-	210.05338	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe