CID 79427

2-[2-(carboxymethoxy)phenoxy]acetic acid

Structural Information

Molecular Formula

C₁₀H₁₀O₆

SMILES

C1=CC=C(C(=C1)OCC(=O)O)OCC(=O)O

InChI

InChI=1S/C10H10O6/c11-9(12)5-15-7-3-1-2-4-8(7)16-6-10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)

InChIKey

PPZYHOQWRAUWAY-UHFFFAOYSA-N

Compound name

2-[2-(carboxymethoxy)phenoxy]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1378
Patents: 226.04774 Da
Monoisotopic Mass: 0.6
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	144.4
[M+Na]+	249.036958	151.0
[M-H]-	225.040464	145.4
[M+NH4]+	244.081563	160.7
[M+K]+	265.010898	150.2
[M+H-H2O]+	209.045000	138.3
[M+HCOO]-	271.045941	165.3
[M+CH3COO]-	285.061591	182.9
[M+Na-2H]-	247.022406	148.1
[M]+	226.04719142	147.3
[M]-	226.04828858	147.3

Literature stripe

literature stripe

Patent stripe

patents stripe