CID 12200479

6-aminopyridazine-3-carboxylic acid

Structural Information

Molecular Formula

C₅H₅N₃O₂

SMILES

C1=CC(=NN=C1C(=O)O)N

InChI

InChI=1S/C5H5N3O2/c6-4-2-1-3(5(9)10)7-8-4/h1-2H,(H2,6,8)(H,9,10)

InChIKey

OTXZCRCTNZCHKJ-UHFFFAOYSA-N

Compound name

6-aminopyridazine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 151
Patents: 139.03818 Da
Monoisotopic Mass: -0.6
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]+	140.04546	125.0
[M+Na]+	162.02740	136.3
[M+NH4]+	157.07200	131.6
[M+K]+	178.00134	132.6
[M-H]-	138.03090	124.9
[M+Na-2H]-	160.01285	130.8
[M]+	139.03763	126.2
[M]-	139.03873	126.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe