CID 16228205

1-(2-methylpropyl)-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid

Structural Information

Molecular Formula
C9H14N2O3
SMILES
CC(C)CN1C(=O)CCC(=N1)C(=O)O
InChI
InChI=1S/C9H14N2O3/c1-6(2)5-11-8(12)4-3-7(10-11)9(13)14/h6H,3-5H2,1-2H3,(H,13,14)
InChIKey
FHSXRWUPFJOQNQ-UHFFFAOYSA-N
Compound name
1-(2-methylpropyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.10045 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.107726 143.0
[M+Na]+ 221.089668 149.8
[M-H]- 197.093174 142.4
[M+NH4]+ 216.134273 158.9
[M+K]+ 237.063608 148.5
[M+H-H2O]+ 181.097710 136.2
[M+HCOO]- 243.098651 159.6
[M+CH3COO]- 257.114301 183.3
[M+Na-2H]- 219.075116 145.0
[M]+ 198.09990142 141.7
[M]- 198.10099858 141.7
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.