CID 53298842

919536-50-8

Structural Information

Molecular Formula
C10H13N3O3
SMILES
C1CN(CCC1C(=O)O)C2=NNC(=O)C=C2
InChI
InChI=1S/C10H13N3O3/c14-9-2-1-8(11-12-9)13-5-3-7(4-6-13)10(15)16/h1-2,7H,3-6H2,(H,12,14)(H,15,16)
InChIKey
GOEYWOLAGLMLLD-UHFFFAOYSA-N
Compound name
1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

223.09569 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.10297 149.2
[M+Na]+ 246.08491 155.5
[M-H]- 222.08841 148.7
[M+NH4]+ 241.12951 161.4
[M+K]+ 262.05885 151.7
[M+H-H2O]+ 206.09295 140.4
[M+HCOO]- 268.09389 163.4
[M+CH3COO]- 282.10954 182.2
[M+Na-2H]- 244.07036 152.8
[M]+ 223.09514 143.4
[M]- 223.09624 143.4
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

patents stripe