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

17
Patents

153.05383 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.061106 128.2
[M+Na]+ 176.043048 136.0
[M-H]- 152.046554 129.2
[M+NH4]+ 171.087653 146.3
[M+K]+ 192.016988 133.6
[M+H-H2O]+ 136.051090 121.6
[M+HCOO]- 198.052031 152.2
[M+CH3COO]- 212.067681 175.3
[M+Na-2H]- 174.028496 135.1
[M]+ 153.05328142 124.2
[M]- 153.05437858 124.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe