CID 16228264

67691-59-2

Structural Information

Molecular Formula
C12H14N2O3
SMILES
C1CCN(C(C1)C(=O)O)C(=O)C2=CN=CC=C2
InChI
InChI=1S/C12H14N2O3/c15-11(9-4-3-6-13-8-9)14-7-2-1-5-10(14)12(16)17/h3-4,6,8,10H,1-2,5,7H2,(H,16,17)
InChIKey
JRQWUONIXFUCPM-UHFFFAOYSA-N
Compound name
1-(pyridine-3-carbonyl)piperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

234.10045 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.10773 152.0
[M+Na]+ 257.08967 156.8
[M-H]- 233.09317 153.8
[M+NH4]+ 252.13427 165.6
[M+K]+ 273.06361 154.2
[M+H-H2O]+ 217.09771 143.5
[M+HCOO]- 279.09865 167.6
[M+CH3COO]- 293.11430 186.7
[M+Na-2H]- 255.07512 154.7
[M]+ 234.09990 147.2
[M]- 234.10100 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

literature stripe

Patent stripe

patents stripe