CID 16218074

3-acetyl-2,6-dimethoxypyridine

Structural Information

Molecular Formula

C₉H₁₁NO₃

SMILES

CC(=O)C1=C(N=C(C=C1)OC)OC

InChI

InChI=1S/C9H11NO3/c1-6(11)7-4-5-8(12-2)10-9(7)13-3/h4-5H,1-3H3

InChIKey

IVALWZXGBXJZPI-UHFFFAOYSA-N

Compound name

1-(2,6-dimethoxypyridin-3-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 181.0739 Da
Monoisotopic Mass: 1.1
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]+	182.08118	136.8
[M+Na]+	204.06312	149.6
[M+NH4]+	199.10772	144.1
[M+K]+	220.03706	144.4
[M-H]-	180.06662	137.5
[M+Na-2H]-	202.04857	142.8
[M]+	181.07335	138.7
[M]-	181.07445	138.7

Literature stripe

literature stripe

Patent stripe

patents stripe