CID 8469

Ethyl 3-phenylglycidate

Structural Information

Molecular Formula

C₁₁H₁₂O₃

SMILES

CCOC(=O)C1C(O1)C2=CC=CC=C2

InChI

InChI=1S/C11H12O3/c1-2-13-11(12)10-9(14-10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3

InChIKey

GOMAKLPNAAZVCJ-UHFFFAOYSA-N

Compound name

ethyl 3-phenyloxirane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 4
References: 2058
Patents: 192.07864 Da
Monoisotopic Mass: 1.7
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	142.5
[M+Na]+	215.06786	156.8
[M+NH4]+	210.11246	151.3
[M+K]+	231.04180	152.5
[M-H]-	191.07136	153.5
[M+Na-2H]-	213.05331	151.9
[M]+	192.07809	148.8
[M]-	192.07919	148.8

Literature stripe

literature stripe

Patent stripe

patents stripe