CID 174073

4-((2-hydroxyethoxy)carbonyl)benzoic acid

Structural Information

Molecular Formula

C₁₀H₁₀O₅

SMILES

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

InChI

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

InChIKey

BCBHDSLDGBIFIX-UHFFFAOYSA-N

Compound name

4-(2-hydroxyethoxycarbonyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 16698
Patents: 210.05283 Da
Monoisotopic Mass: 0.6
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	142.3
[M+Na]+	233.04205	149.1
[M-H]-	209.04555	143.3
[M+NH4]+	228.08665	159.4
[M+K]+	249.01599	147.7
[M+H-H2O]+	193.05009	136.5
[M+HCOO]-	255.05103	163.0
[M+CH3COO]-	269.06668	180.0
[M+Na-2H]-	231.02750	145.8
[M]+	210.05228	143.6
[M]-	210.05338	143.6

Literature stripe

literature stripe

Patent stripe

patents stripe