CID 24117

Allyl phenoxyacetate

Structural Information

Molecular Formula

C₁₁H₁₂O₃

SMILES

C=CCOC(=O)COC1=CC=CC=C1

InChI

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

InChIKey

VUFZVGQUAVDKMC-UHFFFAOYSA-N

Compound name

prop-2-enyl 2-phenoxyacetate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 4
References: 3208
Patents: 192.07864 Da
Monoisotopic Mass: 2.1
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]+	193.08592	140.6
[M+Na]+	215.06786	147.5
[M-H]-	191.07136	144.0
[M+NH4]+	210.11246	159.9
[M+K]+	231.04180	145.9
[M+H-H2O]+	175.07590	134.4
[M+HCOO]-	237.07684	164.7
[M+CH3COO]-	251.09249	181.8
[M+Na-2H]-	213.05331	146.6
[M]+	192.07809	143.5
[M]-	192.07919	143.5

Literature stripe

literature stripe

Patent stripe

patents stripe