CID 2818110

2-(carboxymethoxy)-3-methoxybenzoic acid

Structural Information

Molecular Formula

C₁₀H₁₀O₆

SMILES

COC1=CC=CC(=C1OCC(=O)O)C(=O)O

InChI

InChI=1S/C10H10O6/c1-15-7-4-2-3-6(10(13)14)9(7)16-5-8(11)12/h2-4H,5H2,1H3,(H,11,12)(H,13,14)

InChIKey

LCVDKSGOJCTNKI-UHFFFAOYSA-N

Compound name

2-(carboxymethoxy)-3-methoxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 226.04774 Da
Monoisotopic Mass: 1.3
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]+	227.055016	143.7
[M+Na]+	249.036958	151.2
[M-H]-	225.040464	145.0
[M+NH4]+	244.081563	160.3
[M+K]+	265.010898	150.5
[M+H-H2O]+	209.045000	137.8
[M+HCOO]-	271.045941	164.5
[M+CH3COO]-	285.061591	184.2
[M+Na-2H]-	247.022406	146.7
[M]+	226.04719142	147.0
[M]-	226.04828858	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe