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]+ 223.107726 149.3
[M+Na]+ 245.089668 154.8
[M-H]- 221.093174 148.7
[M+NH4]+ 240.134273 162.2
[M+K]+ 261.063608 150.1
[M+H-H2O]+ 205.097710 141.5
[M+HCOO]- 267.098651 163.1
[M+CH3COO]- 281.114301 179.9
[M+Na-2H]- 243.075116 151.9
[M]+ 222.09990142 141.5
[M]- 222.10099858 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.