CID 43171051

1-(6-oxo-1,6-dihydropyridazine-3-carbonyl)piperidine-2-carboxylic acid

Structural Information

Molecular Formula
C11H13N3O4
SMILES
C1CCN(C(C1)C(=O)O)C(=O)C2=NNC(=O)C=C2
InChI
InChI=1S/C11H13N3O4/c15-9-5-4-7(12-13-9)10(16)14-6-2-1-3-8(14)11(17)18/h4-5,8H,1-3,6H2,(H,13,15)(H,17,18)
InChIKey
BFNCTPSMXQTFPP-UHFFFAOYSA-N
Compound name
1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.0906 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.09788 154.8
[M+Na]+ 274.07982 160.6
[M-H]- 250.08332 154.4
[M+NH4]+ 269.12442 165.7
[M+K]+ 290.05376 157.2
[M+H-H2O]+ 234.08786 146.0
[M+HCOO]- 296.08880 168.2
[M+CH3COO]- 310.10445 187.0
[M+Na-2H]- 272.06527 156.9
[M]+ 251.09005 149.5
[M]- 251.09115 149.5
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.