CID 13658

2-phenoxypropionic acid

Structural Information

Molecular Formula

C₉H₁₀O₃

SMILES

CC(C(=O)O)OC1=CC=CC=C1

InChI

InChI=1S/C9H10O3/c1-7(9(10)11)12-8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)

InChIKey

SXERGJJQSKIUIC-UHFFFAOYSA-N

Compound name

2-phenoxypropanoic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 27
References: 21899
Patents: 166.06299 Da
Monoisotopic Mass: 1.7
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]+	167.070266	133.3
[M+Na]+	189.052208	139.9
[M-H]-	165.055714	135.6
[M+NH4]+	184.096813	152.8
[M+K]+	205.026148	139.0
[M+H-H2O]+	149.060250	127.7
[M+HCOO]-	211.061191	155.2
[M+CH3COO]-	225.076841	175.6
[M+Na-2H]-	187.037656	138.5
[M]+	166.06244142	133.6
[M]-	166.06353858	133.6

Literature stripe

literature stripe

Patent stripe

patents stripe