CID 5245628

60184-73-8

Structural Information

Molecular Formula

C₅H₅N₃O₂

SMILES

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

InChI

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

InChIKey

XBQRGTPJNIKNIB-UHFFFAOYSA-N

Compound name

6-oxo-1H-pyridazine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 71
Patents: 139.03818 Da
Monoisotopic Mass: -1.4
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]+	140.04546	124.3
[M+Na]+	162.02740	133.4
[M-H]-	138.03090	124.1
[M+NH4]+	157.07200	142.0
[M+K]+	178.00134	131.1
[M+H-H2O]+	122.03544	117.6
[M+HCOO]-	184.03638	146.3
[M+CH3COO]-	198.05203	170.6
[M+Na-2H]-	160.01285	131.6
[M]+	139.03763	121.4
[M]-	139.03873	121.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe