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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	224.102966	149.2
[M+Na]+	246.084908	155.5
[M-H]-	222.088414	148.7
[M+NH4]+	241.129513	161.4
[M+K]+	262.058848	151.7
[M+H-H2O]+	206.092950	140.4
[M+HCOO]-	268.093891	163.4
[M+CH3COO]-	282.109541	182.2
[M+Na-2H]-	244.070356	152.8
[M]+	223.09514142	143.4
[M]-	223.09623858	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe