CID 1714115

5-hydroxypyridazine-4-carboxylic acid

Structural Information

Molecular Formula
C5H4N2O3
SMILES
C1=C(C(=O)C=NN1)C(=O)O
InChI
InChI=1S/C5H4N2O3/c8-4-2-7-6-1-3(4)5(9)10/h1-2H,(H,6,8)(H,9,10)
InChIKey
YDRRCUWMPDQDFA-UHFFFAOYSA-N
Compound name
4-oxo-1H-pyridazine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

140.02219 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.02947 123.2
[M+Na]+ 163.01141 132.6
[M-H]- 139.01491 122.1
[M+NH4]+ 158.05601 140.6
[M+K]+ 178.98535 130.3
[M+H-H2O]+ 123.01945 116.9
[M+HCOO]- 185.02039 143.5
[M+CH3COO]- 199.03604 165.9
[M+Na-2H]- 160.99686 130.6
[M]+ 140.02164 121.5
[M]- 140.02274 121.5
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