CID 74655

4-acetylphenoxyacetic acid

Structural Information

Molecular Formula

C₁₀H₁₀O₄

SMILES

CC(=O)C1=CC=C(C=C1)OCC(=O)O

InChI

InChI=1S/C10H10O4/c1-7(11)8-2-4-9(5-3-8)14-6-10(12)13/h2-5H,6H2,1H3,(H,12,13)

InChIKey

KMXZEXUYXUMHEQ-UHFFFAOYSA-N

Compound name

2-(4-acetylphenoxy)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 349
Patents: 194.0579 Da
Monoisotopic Mass: 0.9
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]+	195.06518	139.9
[M+Na]+	217.04712	151.0
[M+NH4]+	212.09172	146.5
[M+K]+	233.02106	146.8
[M-H]-	193.05062	139.8
[M+Na-2H]-	215.03257	144.8
[M]+	194.05735	141.2
[M]-	194.05845	141.2

Literature stripe

literature stripe

Patent stripe

patents stripe