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

80
Patents

139.03818 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.045456 124.3
[M+Na]+ 162.027398 133.4
[M-H]- 138.030904 124.1
[M+NH4]+ 157.072003 142.0
[M+K]+ 178.001338 131.1
[M+H-H2O]+ 122.035440 117.6
[M+HCOO]- 184.036381 146.3
[M+CH3COO]- 198.052031 170.6
[M+Na-2H]- 160.012846 131.6
[M]+ 139.03763142 121.4
[M]- 139.03872858 121.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe