CID 43171051

1218456-77-9

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 155.0
[M+Na]+ 274.07982 165.2
[M+NH4]+ 269.12442 159.3
[M+K]+ 290.05376 162.2
[M-H]- 250.08332 154.0
[M+Na-2H]- 272.06527 158.9
[M]+ 251.09005 155.6
[M]- 251.09115 155.6
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.