CID 123339

2-methyl-3-phenyloxirane

Structural Information

Molecular Formula

C₉H₁₀O

SMILES

CC1C(O1)C2=CC=CC=C2

InChI

InChI=1S/C9H10O/c1-7-9(10-7)8-5-3-2-4-6-8/h2-7,9H,1H3

InChIKey

YVCOJTATJWDGEU-UHFFFAOYSA-N

Compound name

2-methyl-3-phenyloxirane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 8
References: 2523
Patents: 134.07317 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]+	135.08045	127.5
[M+Na]+	157.06239	143.3
[M+NH4]+	152.10699	138.1
[M+K]+	173.03633	137.9
[M-H]-	133.06589	139.9
[M+Na-2H]-	155.04784	138.8
[M]+	134.07262	134.6
[M]-	134.07372	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe