CID 115033224

2-oxo-5-(piperidin-4-yl)-1,2-dihydropyridine-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C11H14N2O3
SMILES
C1CNCCC1C2=CNC(=O)C(=C2)C(=O)O
InChI
InChI=1S/C11H14N2O3/c14-10-9(11(15)16)5-8(6-13-10)7-1-3-12-4-2-7/h5-7,12H,1-4H2,(H,13,14)(H,15,16)
InChIKey
BSKJWSPYGBMWOI-UHFFFAOYSA-N
Compound name
2-oxo-5-piperidin-4-yl-1H-pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.10045 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.10773 149.3
[M+Na]+ 245.08967 154.8
[M-H]- 221.09317 148.7
[M+NH4]+ 240.13427 162.2
[M+K]+ 261.06361 150.1
[M+H-H2O]+ 205.09771 141.5
[M+HCOO]- 267.09865 163.1
[M+CH3COO]- 281.11430 179.9
[M+Na-2H]- 243.07512 151.9
[M]+ 222.09990 141.5
[M]- 222.10100 141.5
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.