CID 99326

1-naphthyloxyacetone

Structural Information

Molecular Formula

C₁₃H₁₂O₂

SMILES

CC(=O)COC1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C13H12O2/c1-10(14)9-15-13-8-4-6-11-5-2-3-7-12(11)13/h2-8H,9H2,1H3

InChIKey

XLBISEPPFPYRSE-UHFFFAOYSA-N

Compound name

1-naphthalen-1-yloxypropan-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 31
Patents: 200.08372 Da
Monoisotopic Mass: 3.0
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]+	201.09100	142.1
[M+Na]+	223.07294	156.5
[M+NH4]+	218.11754	151.6
[M+K]+	239.04688	148.8
[M-H]-	199.07644	145.3
[M+Na-2H]-	221.05839	149.9
[M]+	200.08317	145.1
[M]-	200.08427	145.1

Literature stripe

literature stripe

Patent stripe

patents stripe