CID 52404

1-(1-naphthyloxy)-2-butanone

Structural Information

Molecular Formula

C₁₄H₁₄O₂

SMILES

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

InChI

InChI=1S/C14H14O2/c1-2-12(15)10-16-14-9-5-7-11-6-3-4-8-13(11)14/h3-9H,2,10H2,1H3

InChIKey

QIWHGUWIXSKJKR-UHFFFAOYSA-N

Compound name

1-naphthalen-1-yloxybutan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 214.09938 Da
Monoisotopic Mass: 3.4
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]+	215.106656	146.4
[M+Na]+	237.088598	154.0
[M-H]-	213.092104	150.8
[M+NH4]+	232.133203	166.1
[M+K]+	253.062538	151.1
[M+H-H2O]+	197.096640	139.9
[M+HCOO]-	259.097581	168.9
[M+CH3COO]-	273.113231	189.0
[M+Na-2H]-	235.074046	153.3
[M]+	214.09883142	148.8
[M]-	214.09992858	148.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.