CID 69007765

Ethyl 4,6-dihydroxypyridazine-3-carboxylate

Structural Information

Molecular Formula
C7H8N2O4
SMILES
CCOC(=O)C1=NNC(=O)C=C1O
InChI
InChI=1S/C7H8N2O4/c1-2-13-7(12)6-4(10)3-5(11)8-9-6/h3H,2H2,1H3,(H2,8,10,11)
InChIKey
QHSUCVJSGHLDIA-UHFFFAOYSA-N
Compound name
ethyl 4-hydroxy-6-oxo-1H-pyridazine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

184.0484 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.05568 134.9
[M+Na]+ 207.03762 144.3
[M-H]- 183.04112 133.9
[M+NH4]+ 202.08222 150.9
[M+K]+ 223.01156 142.2
[M+H-H2O]+ 167.04566 128.2
[M+HCOO]- 229.04660 154.7
[M+CH3COO]- 243.06225 174.7
[M+Na-2H]- 205.02307 140.6
[M]+ 184.04785 135.7
[M]- 184.04895 135.7
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