CID 59340334

2-methoxy-4-(methoxycarbonyl)benzoic acid

Structural Information

Molecular Formula

C₁₀H₁₀O₅

SMILES

COC1=C(C=CC(=C1)C(=O)OC)C(=O)O

InChI

InChI=1S/C10H10O5/c1-14-8-5-6(10(13)15-2)3-4-7(8)9(11)12/h3-5H,1-2H3,(H,11,12)

InChIKey

KDMXUDOMAMCSBX-UHFFFAOYSA-N

Compound name

2-methoxy-4-methoxycarbonylbenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 105
Patents: 210.05283 Da
Monoisotopic Mass: 1.2
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	142.5
[M+Na]+	233.04205	153.5
[M+NH4]+	228.08665	148.5
[M+K]+	249.01599	150.1
[M-H]-	209.04555	142.0
[M+Na-2H]-	231.02750	146.7
[M]+	210.05228	143.6
[M]-	210.05338	143.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe