CID 144397

70289-12-2

Structural Information

Molecular Formula

C₁₀H₁₂O₃

SMILES

CCOC1=CC=CC=C1CC(=O)O

InChI

InChI=1S/C10H12O3/c1-2-13-9-6-4-3-5-8(9)7-10(11)12/h3-6H,2,7H2,1H3,(H,11,12)

InChIKey

ABROWERIMKBDEW-UHFFFAOYSA-N

Compound name

2-(2-ethoxyphenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 120
Patents: 180.07864 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]+	181.08592	137.7
[M+Na]+	203.06786	149.7
[M+NH4]+	198.11246	145.4
[M+K]+	219.04180	144.1
[M-H]-	179.07136	138.7
[M+Na-2H]-	201.05331	143.6
[M]+	180.07809	139.5
[M]-	180.07919	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe