CID 3017597

Ethyl 2-(4-hydroxyphenoxy)propanoate

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

3
Annotation Hits: 2
References: 205
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]+	211.09648	145.3
[M+Na]+	233.07842	156.2
[M+NH4]+	228.12302	152.0
[M+K]+	249.05236	151.8
[M-H]-	209.08192	145.5
[M+Na-2H]-	231.06387	150.1
[M]+	210.08865	146.6
[M]-	210.08975	146.6

Literature stripe

literature stripe

Patent stripe

patents stripe