CID 111404

Phenethyl glycidate

Structural Information

Molecular Formula

C₁₁H₁₂O₃

SMILES

C1C(O1)C(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C11H12O3/c12-11(10-8-14-10)13-7-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2

InChIKey

UTNDVHQOMQAVKV-UHFFFAOYSA-N

Compound name

2-phenylethyl oxirane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 192.07864 Da
Monoisotopic Mass: 1.8
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	140.0
[M+Na]+	215.06786	148.6
[M-H]-	191.07136	148.2
[M+NH4]+	210.11246	153.3
[M+K]+	231.04180	147.9
[M+H-H2O]+	175.07590	132.9
[M+HCOO]-	237.07684	163.3
[M+CH3COO]-	251.09249	184.5
[M+Na-2H]-	213.05331	147.4
[M]+	192.07809	145.2
[M]-	192.07919	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe