CID 170173

4-(oxoacetyl)phenoxyacetate

Structural Information

Molecular Formula

C₁₀H₈O₅

SMILES

C1=CC(=CC=C1C(=O)C=O)OCC(=O)O

InChI

InChI=1S/C10H8O5/c11-5-9(12)7-1-3-8(4-2-7)15-6-10(13)14/h1-5H,6H2,(H,13,14)

InChIKey

GUKBSZIPEVVOGO-UHFFFAOYSA-N

Compound name

2-(4-oxaldehydoylphenoxy)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 12
Patents: 208.03717 Da
Monoisotopic Mass: 1.1
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]+	209.04445	142.0
[M+Na]+	231.02639	152.6
[M+NH4]+	226.07099	147.7
[M+K]+	247.00033	148.9
[M-H]-	207.02989	141.1
[M+Na-2H]-	229.01184	146.3
[M]+	208.03662	142.8
[M]-	208.03772	142.8

Literature stripe

literature stripe

Patent stripe

patents stripe