CID 80492

6281-75-0

Structural Information

Molecular Formula

C₉H₉N₃O₄

SMILES

CC1=C(C(=C(C(=O)N1)C#N)COC)[N+](=O)[O-]

InChI

InChI=1S/C9H9N3O4/c1-5-8(12(14)15)7(4-16-2)6(3-10)9(13)11-5/h4H2,1-2H3,(H,11,13)

InChIKey

FDZPYSHPLURJEA-UHFFFAOYSA-N

Compound name

4-(methoxymethyl)-6-methyl-5-nitro-2-oxo-1H-pyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 223.05931 Da
Monoisotopic Mass: -0.7
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]+	224.06659	144.6
[M+Na]+	246.04853	156.8
[M+NH4]+	241.09313	147.3
[M+K]+	262.02247	151.5
[M-H]-	222.05203	138.6
[M+Na-2H]-	244.03398	146.5
[M]+	223.05876	143.5
[M]-	223.05986	143.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.