CID 69313

Phenoxyacetone

Structural Information

Molecular Formula

C₉H₁₀O₂

SMILES

CC(=O)COC1=CC=CC=C1

InChI

InChI=1S/C9H10O2/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6H,7H2,1H3

InChIKey

QWAVNXZAQASOML-UHFFFAOYSA-N

Compound name

1-phenoxypropan-2-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 1031
Patents: 150.06808 Da
Monoisotopic Mass: 1.0
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]+	151.07536	130.0
[M+Na]+	173.05730	142.9
[M+NH4]+	168.10190	138.8
[M+K]+	189.03124	136.5
[M-H]-	149.06080	132.1
[M+Na-2H]-	171.04275	137.6
[M]+	150.06753	132.4
[M]-	150.06863	132.4

Literature stripe

literature stripe

Patent stripe

patents stripe