CID 74804

2-hydroxyethyl phenoxyacetate

Structural Information

Molecular Formula

C₁₀H₁₂O₄

SMILES

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

InChI

InChI=1S/C10H12O4/c11-6-7-13-10(12)8-14-9-4-2-1-3-5-9/h1-5,11H,6-8H2

InChIKey

ZHOYGDJJZRTPRS-UHFFFAOYSA-N

Compound name

2-hydroxyethyl 2-phenoxyacetate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 72
Patents: 196.07356 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]+	197.08084	140.8
[M+Na]+	219.06278	147.3
[M-H]-	195.06628	142.8
[M+NH4]+	214.10738	159.2
[M+K]+	235.03672	146.2
[M+H-H2O]+	179.07082	134.7
[M+HCOO]-	241.07176	163.7
[M+CH3COO]-	255.08741	179.1
[M+Na-2H]-	217.04823	146.8
[M]+	196.07301	143.6
[M]-	196.07411	143.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe