CID 129896936

5-hydroxypyridazine-3-carboxylic acid

Structural Information

Molecular Formula

C₅H₄N₂O₃

SMILES

C1=C(NN=CC1=O)C(=O)O

InChI

InChI=1S/C5H4N2O3/c8-3-1-4(5(9)10)7-6-2-3/h1-2H,(H,7,8)(H,9,10)

InChIKey

WUBDNTAWFADMPE-UHFFFAOYSA-N

Compound name

4-oxo-1H-pyridazine-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 140.02219 Da
Monoisotopic Mass: -0.4
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]+	141.029466	123.2
[M+Na]+	163.011408	132.6
[M-H]-	139.014914	122.1
[M+NH4]+	158.056013	140.6
[M+K]+	178.985348	130.3
[M+H-H2O]+	123.019450	116.9
[M+HCOO]-	185.020391	143.5
[M+CH3COO]-	199.036041	165.9
[M+Na-2H]-	160.996856	130.6
[M]+	140.02164142	121.5
[M]-	140.02273858	121.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe