CID 13816151

90812-66-1

Structural Information

Molecular Formula

C₁₀H₁₀O₅

SMILES

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

InChI

InChI=1S/C10H10O5/c1-14-10(13)7-2-4-8(5-3-7)15-6-9(11)12/h2-5H,6H2,1H3,(H,11,12)

InChIKey

WCFPZVJGGGBAOQ-UHFFFAOYSA-N

Compound name

2-(4-methoxycarbonylphenoxy)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 90
Patents: 210.05283 Da
Monoisotopic Mass: 1.9
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]+	211.060106	141.5
[M+Na]+	233.042048	148.8
[M-H]-	209.045554	144.0
[M+NH4]+	228.086653	159.4
[M+K]+	249.015988	148.3
[M+H-H2O]+	193.050090	135.5
[M+HCOO]-	255.051031	163.8
[M+CH3COO]-	269.066681	182.5
[M+Na-2H]-	231.027496	145.6
[M]+	210.05228142	144.8
[M]-	210.05337858	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe