CID 53804754

2,4,5-trihydroxyphenylacetate

Structural Information

Molecular Formula

C₈H₈O₅

SMILES

C1=C(C(=CC(=C1O)O)O)CC(=O)O

InChI

InChI=1S/C8H8O5/c9-5-3-7(11)6(10)1-4(5)2-8(12)13/h1,3,9-11H,2H2,(H,12,13)

InChIKey

FKWSAXDBQYTQDO-UHFFFAOYSA-N

Compound name

2-(2,4,5-trihydroxyphenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 184.03717 Da
Monoisotopic Mass: 0.3
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]+	185.04445	135.7
[M+Na]+	207.02639	146.1
[M+NH4]+	202.07099	141.4
[M+K]+	223.00033	143.5
[M-H]-	183.02989	134.2
[M+Na-2H]-	205.01184	138.8
[M]+	184.03662	136.3
[M]-	184.03772	136.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.