CID 943291

67691-57-0

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₃

SMILES

C1CN(CCC1C(=O)O)C(=O)C2=CN=CC=C2

InChI

InChI=1S/C12H14N2O3/c15-11(10-2-1-5-13-8-10)14-6-3-9(4-7-14)12(16)17/h1-2,5,8-9H,3-4,6-7H2,(H,16,17)

InChIKey

QLIKYTOUENHOPC-UHFFFAOYSA-N

Compound name

1-(pyridine-3-carbonyl)piperidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 234.10045 Da
Monoisotopic Mass: 0.3
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]+	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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe