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]+ 199.10773 143.0
[M+Na]+ 221.08967 149.8
[M-H]- 197.09317 142.4
[M+NH4]+ 216.13427 158.9
[M+K]+ 237.06361 148.5
[M+H-H2O]+ 181.09771 136.2
[M+HCOO]- 243.09865 159.6
[M+CH3COO]- 257.11430 183.3
[M+Na-2H]- 219.07512 145.0
[M]+ 198.09990 141.7
[M]- 198.10100 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.