CID 194291

4-(hydroxymethyl)phenoxyacetic acid

Structural Information

Molecular Formula

C₉H₁₀O₄

SMILES

C1=CC(=CC=C1CO)OCC(=O)O

InChI

InChI=1S/C9H10O4/c10-5-7-1-3-8(4-2-7)13-6-9(11)12/h1-4,10H,5-6H2,(H,11,12)

InChIKey

VUCNQOPCYRJCGQ-UHFFFAOYSA-N

Compound name

2-[4-(hydroxymethyl)phenoxy]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 5305
Patents: 182.0579 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]+	183.06518	136.8
[M+Na]+	205.04712	147.9
[M+NH4]+	200.09172	143.7
[M+K]+	221.02106	143.5
[M-H]-	181.05062	136.7
[M+Na-2H]-	203.03257	141.9
[M]+	182.05735	138.1
[M]-	182.05845	138.1

Literature stripe

literature stripe

Patent stripe

patents stripe