CID 228011

Methyl 3-methyl-3-phenyloxirane-2-carboxylate

Structural Information

Molecular Formula

C₁₁H₁₂O₃

SMILES

CC1(C(O1)C(=O)OC)C2=CC=CC=C2

InChI

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

InChIKey

AGZSSAGYWIIPFE-UHFFFAOYSA-N

Compound name

methyl 3-methyl-3-phenyloxirane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 50
Patents: 192.07864 Da
Monoisotopic Mass: 1.5
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	143.7
[M+Na]+	215.06786	158.2
[M+NH4]+	210.11246	154.0
[M+K]+	231.04180	152.3
[M-H]-	191.07136	154.9
[M+Na-2H]-	213.05331	154.6
[M]+	192.07809	150.3
[M]-	192.07919	150.3

Literature stripe

literature stripe

Patent stripe

patents stripe