CID 39485

2-phenoxyethyl acrylate

Structural Information

Molecular Formula

C₁₁H₁₂O₃

SMILES

C=CC(=O)OCCOC1=CC=CC=C1

InChI

InChI=1S/C11H12O3/c1-2-11(12)14-9-8-13-10-6-4-3-5-7-10/h2-7H,1,8-9H2

InChIKey

RZVINYQDSSQUKO-UHFFFAOYSA-N

Compound name

2-phenoxyethyl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 51183
Patents: 192.07864 Da
Monoisotopic Mass: 2.4
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]+	193.085916	140.6
[M+Na]+	215.067858	147.5
[M-H]-	191.071364	144.0
[M+NH4]+	210.112463	159.9
[M+K]+	231.041798	145.9
[M+H-H2O]+	175.075900	134.4
[M+HCOO]-	237.076841	164.7
[M+CH3COO]-	251.092491	181.8
[M+Na-2H]-	213.053306	146.6
[M]+	192.07809142	143.5
[M]-	192.07918858	143.5

Literature stripe

literature stripe

Patent stripe

patents stripe