CID 71755942

5,6-diethyl-3-oxo-2,3-dihydropyridazine-4-carboxylic acid

Structural Information

Molecular Formula
C9H12N2O3
SMILES
CCC1=C(C(=O)NN=C1CC)C(=O)O
InChI
InChI=1S/C9H12N2O3/c1-3-5-6(4-2)10-11-8(12)7(5)9(13)14/h3-4H2,1-2H3,(H,11,12)(H,13,14)
InChIKey
WGJNOUNQHWSSIS-UHFFFAOYSA-N
Compound name
3,4-diethyl-6-oxo-1H-pyridazine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.0848 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09208 140.7
[M+Na]+ 219.07402 150.3
[M-H]- 195.07752 139.8
[M+NH4]+ 214.11862 156.6
[M+K]+ 235.04796 147.2
[M+H-H2O]+ 179.08206 134.2
[M+HCOO]- 241.08300 159.7
[M+CH3COO]- 255.09865 180.5
[M+Na-2H]- 217.05947 144.6
[M]+ 196.08425 141.4
[M]- 196.08535 141.4
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

No patent data available for this compound.