CID 92043695

100130-15-2

Structural Information

Molecular Formula

C₅H₆N₂O₄S

SMILES

C1=CN=CC(=C1N)OS(=O)(=O)O

InChI

InChI=1S/C5H6N2O4S/c6-4-1-2-7-3-5(4)11-12(8,9)10/h1-3H,(H2,6,7)(H,8,9,10)

InChIKey

UHYGMFPQJLJNNE-UHFFFAOYSA-N

Compound name

(4-amino-3-pyridinyl) hydrogen sulfate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 8
Patents: 190.00482 Da
Monoisotopic Mass: -0.8
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]+	191.012096	134.2
[M+Na]+	212.994038	143.5
[M-H]-	188.997544	135.5
[M+NH4]+	208.038643	151.7
[M+K]+	228.967978	141.0
[M+H-H2O]+	173.002080	128.3
[M+HCOO]-	235.003021	152.0
[M+CH3COO]-	249.018671	175.6
[M+Na-2H]-	210.979486	140.2
[M]+	190.00427142	135.7
[M]-	190.00536858	135.7

Literature stripe

literature stripe

Patent stripe

patents stripe