Metabolite 3-hydroxy-4-aminopyridine

Name

3-hydroxy-4-aminopyridine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

044DSZ58XM

CAS number

Not Available

Weight

Average: 110.1139
Monoisotopic: 110.048012824

Chemical Formula

C₅H₆N₂O

InChI Key

DBDKLFOUWUHPDW-UHFFFAOYSA-N

InChI

InChI=1S/C5H6N2O/c6-4-1-2-7-3-5(4)8/h1-3,8H,(H2,6,7)

IUPAC Name

4-imino-1,4-dihydropyridin-3-ol

SMILES

OC1=CNC=CC1=N

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-03di-9400000000-854e425cf3f7e1cec9af
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-03di-0900000000-458140f7907497a838ef
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4i-3900000000-5f1f85e3945fd9610eb4
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4l-9500000000-f7b4b33d8dc9c99f6bf6
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-08fr-9500000000-c63b7f3f7a1cd2e9af97
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00kf-9000000000-dc78fca933f6589ef77c
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0udi-9000000000-2da354d1f3c859304b8d

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	115.5057674	predicted	DarkChem Lite v0.1.0
[M-H]-	123.71796	predicted	DeepCCS 1.0 (2019)
[M+H]+	115.0996674	predicted	DarkChem Lite v0.1.0
[M+H]+	125.722244	predicted	DeepCCS 1.0 (2019)
[M+Na]+	115.5254674	predicted	DarkChem Lite v0.1.0
[M+Na]+	133.93646	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties