CID 135966539

3-[amino(hydroxyamino)methylidene]-2,3-dihydropyridin-2-one

Structural Information

Molecular Formula

C₆H₇N₃O₂

SMILES

C1=CNC(=O)C(=C1)/C(=N/O)/N

InChI

InChI=1S/C6H7N3O2/c7-5(9-11)4-2-1-3-8-6(4)10/h1-3,11H,(H2,7,9)(H,8,10)

InChIKey

MMDQJJBEZBXWHE-UHFFFAOYSA-N

Compound name

N'-hydroxy-2-oxo-1H-pyridine-3-carboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 153.05383 Da
Monoisotopic Mass: 0.1
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]+	154.06111	128.2
[M+Na]+	176.04305	136.0
[M-H]-	152.04655	129.2
[M+NH4]+	171.08765	146.3
[M+K]+	192.01699	133.6
[M+H-H2O]+	136.05109	121.6
[M+HCOO]-	198.05203	152.2
[M+CH3COO]-	212.06768	175.3
[M+Na-2H]-	174.02850	135.1
[M]+	153.05328	124.2
[M]-	153.05438	124.2

Literature stripe

literature stripe

Patent stripe

patents stripe