CID 3017597

65343-67-1

Structural Information

Molecular Formula

C₁₁H₁₄O₄

SMILES

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

InChI

InChI=1S/C11H14O4/c1-3-14-11(13)8(2)15-10-6-4-9(12)5-7-10/h4-8,12H,3H2,1-2H3

InChIKey

ILYSHPJWNMPBPE-UHFFFAOYSA-N

Compound name

ethyl 2-(4-hydroxyphenoxy)propanoate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 2
References: 328
Patents: 210.0892 Da
Monoisotopic Mass: 2.2
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]+	211.096476	145.0
[M+Na]+	233.078418	151.7
[M-H]-	209.081924	147.3
[M+NH4]+	228.123023	163.1
[M+K]+	249.052358	151.0
[M+H-H2O]+	193.086460	139.0
[M+HCOO]-	255.087401	166.5
[M+CH3COO]-	269.103051	184.2
[M+Na-2H]-	231.063866	148.5
[M]+	210.08865142	147.9
[M]-	210.08974858	147.9

Literature stripe

literature stripe

Patent stripe

patents stripe