CID 86834

Methyl 3-phenyloxirane-2-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₀O₃

SMILES

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

InChI

InChI=1S/C10H10O3/c1-12-10(11)9-8(13-9)7-5-3-2-4-6-7/h2-6,8-9H,1H3

InChIKey

HAFFKTJSQPQAPC-UHFFFAOYSA-N

Compound name

methyl 3-phenyloxirane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 354
Patents: 178.06299 Da
Monoisotopic Mass: 1.3
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]+	179.07027	138.6
[M+Na]+	201.05221	153.0
[M+NH4]+	196.09681	147.6
[M+K]+	217.02615	148.9
[M-H]-	177.05571	149.6
[M+Na-2H]-	199.03766	148.2
[M]+	178.06244	144.9
[M]-	178.06354	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe