CID 328

4-hma

Structural Information

Molecular Formula

C₈H₈O₄

SMILES

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

InChI

InChI=1S/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)

InChIKey

YHXHKYRQLYQUIH-UHFFFAOYSA-N

Compound name

2-hydroxy-2-(4-hydroxyphenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 31
References: 2709
Patents: 168.04225 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]+	169.04953	132.2
[M+Na]+	191.03147	139.2
[M-H]-	167.03497	132.2
[M+NH4]+	186.07607	150.4
[M+K]+	207.00541	137.4
[M+H-H2O]+	151.03951	127.2
[M+HCOO]-	213.04045	151.6
[M+CH3COO]-	227.05610	170.9
[M+Na-2H]-	189.01692	136.2
[M]+	168.04170	130.2
[M]-	168.04280	130.2

Literature stripe

literature stripe

Patent stripe

patents stripe