CID 69470034

1-(2-methoxypyridin-4-yl)propan-2-one

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

CC(=O)CC1=CC(=NC=C1)OC

InChI

InChI=1S/C9H11NO2/c1-7(11)5-8-3-4-10-9(6-8)12-2/h3-4,6H,5H2,1-2H3

InChIKey

CZOXAEJHRIZNRX-UHFFFAOYSA-N

Compound name

1-(2-methoxypyridin-4-yl)propan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 165.07898 Da
Monoisotopic Mass: 0.8
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]+	166.08626	134.0
[M+Na]+	188.06820	146.9
[M+NH4]+	183.11280	141.9
[M+K]+	204.04214	141.0
[M-H]-	164.07170	135.2
[M+Na-2H]-	186.05365	140.8
[M]+	165.07843	136.1
[M]-	165.07953	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe