CID 56604115

Methyl 4,6-dihydroxypyridazine-3-carboxylate

Structural Information

Molecular Formula
C6H6N2O4
SMILES
COC(=O)C1=NNC(=O)C=C1O
InChI
InChI=1S/C6H6N2O4/c1-12-6(11)5-3(9)2-4(10)7-8-5/h2H,1H3,(H2,7,9,10)
InChIKey
SHJHUIKJFYHTDY-UHFFFAOYSA-N
Compound name
methyl 4-hydroxy-6-oxo-1H-pyridazine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

170.03276 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.040036 130.3
[M+Na]+ 193.021978 140.2
[M-H]- 169.025484 129.5
[M+NH4]+ 188.066583 146.9
[M+K]+ 208.995918 138.3
[M+H-H2O]+ 153.030020 123.9
[M+HCOO]- 215.030961 150.5
[M+CH3COO]- 229.046611 171.7
[M+Na-2H]- 191.007426 136.5
[M]+ 170.03221142 130.8
[M]- 170.03330858 130.8
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