CID 79427

5411-14-3

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: 1501
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]+	227.05502	146.2
[M+Na]+	249.03696	155.8
[M+NH4]+	244.08156	151.3
[M+K]+	265.01090	153.0
[M-H]-	225.04046	144.5
[M+Na-2H]-	247.02241	149.6
[M]+	226.04719	146.6
[M]-	226.04829	146.6

Literature stripe

literature stripe

Patent stripe

patents stripe