CID 15881

1878-84-8

Structural Information

Molecular Formula

C₈H₈O₄

SMILES

C1=CC(=CC=C1O)OCC(=O)O

InChI

InChI=1S/C8H8O4/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4,9H,5H2,(H,10,11)

InChIKey

PKGWLCZTTHWKIZ-UHFFFAOYSA-N

Compound name

2-(4-hydroxyphenoxy)acetic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 6
References: 787
Patents: 168.04225 Da
Monoisotopic Mass: 0.7
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]+	169.049526	131.3
[M+Na]+	191.031468	139.0
[M-H]-	167.034974	132.6
[M+NH4]+	186.076073	150.3
[M+K]+	207.005408	137.6
[M+H-H2O]+	151.039510	126.0
[M+HCOO]-	213.040451	153.3
[M+CH3COO]-	227.056101	172.4
[M+Na-2H]-	189.016916	137.1
[M]+	168.04170142	131.9
[M]-	168.04279858	131.9

Literature stripe

literature stripe

Patent stripe

patents stripe