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

6
Annotation Hits: 4
References: 2344
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]+	193.085916	139.5
[M+Na]+	215.067858	149.1
[M-H]-	191.071364	148.1
[M+NH4]+	210.112463	153.2
[M+K]+	231.041798	148.3
[M+H-H2O]+	175.075900	132.7
[M+HCOO]-	237.076841	162.8
[M+CH3COO]-	251.092491	185.6
[M+Na-2H]-	213.053306	146.3
[M]+	192.07809142	145.2
[M]-	192.07918858	145.2

Literature stripe

literature stripe

Patent stripe

patents stripe