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

53
Patents

170.03276 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.04004 130.3
[M+Na]+ 193.02198 140.2
[M-H]- 169.02548 129.5
[M+NH4]+ 188.06658 146.9
[M+K]+ 208.99592 138.3
[M+H-H2O]+ 153.03002 123.9
[M+HCOO]- 215.03096 150.5
[M+CH3COO]- 229.04661 171.7
[M+Na-2H]- 191.00743 136.5
[M]+ 170.03221 130.8
[M]- 170.03331 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