CID 87243

17689-42-8

Structural Information

Molecular Formula

C₁₀H₁₀O₅

SMILES

C1=CC=C(C(=C1)C(=O)O)C(=O)OCCO

InChI

InChI=1S/C10H10O5/c11-5-6-15-10(14)8-4-2-1-3-7(8)9(12)13/h1-4,11H,5-6H2,(H,12,13)

InChIKey

NTINFTOOVNKGIU-UHFFFAOYSA-N

Compound name

2-(2-hydroxyethoxycarbonyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1294
Patents: 210.05283 Da
Monoisotopic Mass: 0.4
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	143.6
[M+Na]+	233.04205	153.6
[M+NH4]+	228.08665	149.2
[M+K]+	249.01599	150.3
[M-H]-	209.04555	142.4
[M+Na-2H]-	231.02750	147.4
[M]+	210.05228	144.3
[M]-	210.05338	144.3

Literature stripe

literature stripe

Patent stripe

patents stripe