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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	171.04004	132.1
[M+Na]+	193.02198	143.6
[M+NH4]+	188.06658	137.4
[M+K]+	208.99592	140.5
[M-H]-	169.02548	130.1
[M+Na-2H]-	191.00743	136.4
[M]+	170.03221	132.7
[M]-	170.03331	132.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe