CID 16398

2-phenylpropylene oxide

Structural Information

Molecular Formula

C₉H₁₀O

SMILES

CC1(CO1)C2=CC=CC=C2

InChI

InChI=1S/C9H10O/c1-9(7-10-9)8-5-3-2-4-6-8/h2-6H,7H2,1H3

InChIKey

MRXPNWXSFCODDY-UHFFFAOYSA-N

Compound name

2-methyl-2-phenyloxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1274
Patents: 134.07317 Da
Monoisotopic Mass: 1.6
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	129.6
[M+Na]+	157.06239	145.3
[M+NH4]+	152.10699	141.6
[M+K]+	173.03633	138.0
[M-H]-	133.06589	142.2
[M+Na-2H]-	155.04784	142.5
[M]+	134.07262	136.9
[M]-	134.07372	136.9

Literature stripe

literature stripe

Patent stripe

patents stripe