CID 94826

(2,3-epoxypropyl)benzene

Structural Information

Molecular Formula

C₉H₁₀O

SMILES

C1C(O1)CC2=CC=CC=C2

InChI

InChI=1S/C9H10O/c1-2-4-8(5-3-1)6-9-7-10-9/h1-5,9H,6-7H2

InChIKey

JFDMLXYWGLECEY-UHFFFAOYSA-N

Compound name

2-benzyloxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 4083
Patents: 134.07317 Da
Monoisotopic Mass: 1.9
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	128.4
[M+Na]+	157.06239	143.7
[M+NH4]+	152.10699	138.9
[M+K]+	173.03633	138.1
[M-H]-	133.06589	140.7
[M+Na-2H]-	155.04784	139.7
[M]+	134.07262	135.3
[M]-	134.07372	135.3

Literature stripe

literature stripe

Patent stripe

patents stripe