CID 193458

10414-68-3

Structural Information

Molecular Formula

C₁₀H₁₀O₅

SMILES

COC1=CC=C(C=C1)C(=O)OCC(=O)O

InChI

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

InChIKey

MZSAEUPZUUESSL-UHFFFAOYSA-N

Compound name

2-(4-methoxybenzoyl)oxyacetic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 38
Patents: 210.05283 Da
Monoisotopic Mass: 1.3
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]+	211.06011	141.5
[M+Na]+	233.04205	148.8
[M-H]-	209.04555	144.0
[M+NH4]+	228.08665	159.4
[M+K]+	249.01599	148.3
[M+H-H2O]+	193.05009	135.5
[M+HCOO]-	255.05103	163.8
[M+CH3COO]-	269.06668	182.5
[M+Na-2H]-	231.02750	145.6
[M]+	210.05228	144.8
[M]-	210.05338	144.8

Literature stripe

literature stripe

Patent stripe

patents stripe