CID 16769943

1-(pyridine-2-carbonyl)piperidine-3-carboxylic acid

Structural Information

Molecular Formula
C12H14N2O3
SMILES
C1CC(CN(C1)C(=O)C2=CC=CC=N2)C(=O)O
InChI
InChI=1S/C12H14N2O3/c15-11(10-5-1-2-6-13-10)14-7-3-4-9(8-14)12(16)17/h1-2,5-6,9H,3-4,7-8H2,(H,16,17)
InChIKey
JYSSUXMJWSBYLQ-UHFFFAOYSA-N
Compound name
1-(pyridine-2-carbonyl)piperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

234.10045 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.107726 152.0
[M+Na]+ 257.089668 156.8
[M-H]- 233.093174 153.8
[M+NH4]+ 252.134273 165.6
[M+K]+ 273.063608 154.2
[M+H-H2O]+ 217.097710 143.5
[M+HCOO]- 279.098651 167.6
[M+CH3COO]- 293.114301 186.7
[M+Na-2H]- 255.075116 154.7
[M]+ 234.09990142 147.2
[M]- 234.10099858 147.2
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