CID 99621

27372-38-9

Structural Information

Molecular Formula
C5H6N2O3
SMILES
C1CC(=O)NN=C1C(=O)O
InChI
InChI=1S/C5H6N2O3/c8-4-2-1-3(5(9)10)6-7-4/h1-2H2,(H,7,8)(H,9,10)
InChIKey
VUADWGRLHPTYPI-UHFFFAOYSA-N
Compound name
6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

182
Patents

142.03784 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.045116 126.5
[M+Na]+ 165.027058 133.9
[M-H]- 141.030564 124.7
[M+NH4]+ 160.071663 143.7
[M+K]+ 181.000998 132.2
[M+H-H2O]+ 125.035100 120.2
[M+HCOO]- 187.036041 143.9
[M+CH3COO]- 201.051691 166.6
[M+Na-2H]- 163.012506 131.9
[M]+ 142.03729142 122.1
[M]- 142.03838858 122.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe