CID 66884

102-39-6

Structural Information

Molecular Formula

C₁₀H₁₀O₆

SMILES

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

InChI

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

InChIKey

ZVMAGJJPTALGQB-UHFFFAOYSA-N

Compound name

2-[3-(carboxymethoxy)phenoxy]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2635
Patents: 226.04774 Da
Monoisotopic Mass: 1.0
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	144.4
[M+Na]+	249.03696	151.0
[M-H]-	225.04046	145.4
[M+NH4]+	244.08156	160.7
[M+K]+	265.01090	150.2
[M+H-H2O]+	209.04500	138.3
[M+HCOO]-	271.04594	165.3
[M+CH3COO]-	285.06159	182.9
[M+Na-2H]-	247.02241	148.1
[M]+	226.04719	147.3
[M]-	226.04829	147.3

Literature stripe

literature stripe

Patent stripe

patents stripe