CID 79233

5327-91-3

Structural Information

Molecular Formula

C₁₀H₁₂O₄

SMILES

CCOC1=CC=C(C=C1)OCC(=O)O

InChI

InChI=1S/C10H12O4/c1-2-13-8-3-5-9(6-4-8)14-7-10(11)12/h3-6H,2,7H2,1H3,(H,11,12)

InChIKey

NSVKLONIKJVUPZ-UHFFFAOYSA-N

Compound name

2-(4-ethoxyphenoxy)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 50
Patents: 196.07356 Da
Monoisotopic Mass: 1.6
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]+	197.08084	139.9
[M+Na]+	219.06278	147.2
[M-H]-	195.06628	142.3
[M+NH4]+	214.10738	158.6
[M+K]+	235.03672	146.2
[M+H-H2O]+	179.07082	134.0
[M+HCOO]-	241.07176	162.8
[M+CH3COO]-	255.08741	180.9
[M+Na-2H]-	217.04823	145.2
[M]+	196.07301	143.2
[M]-	196.07411	143.2

Literature stripe

literature stripe

Patent stripe

patents stripe