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: 16
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]+	193.085916	140.0
[M+Na]+	215.067858	148.6
[M-H]-	191.071364	148.2
[M+NH4]+	210.112463	153.3
[M+K]+	231.041798	147.9
[M+H-H2O]+	175.075900	132.9
[M+HCOO]-	237.076841	163.3
[M+CH3COO]-	251.092491	184.5
[M+Na-2H]-	213.053306	147.4
[M]+	192.07809142	145.2
[M]-	192.07918858	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe