CID 854158

Nipecotamide

Structural Information

Molecular Formula

C₆H₁₂N₂O

SMILES

C1C[C@H](CNC1)C(=O)N

InChI

InChI=1S/C6H12N2O/c7-6(9)5-2-1-3-8-4-5/h5,8H,1-4H2,(H2,7,9)/t5-/m1/s1

InChIKey

BVOCPVIXARZNQN-RXMQYKEDSA-N

Compound name

(3R)-piperidine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 16
References: 4200
Patents: 128.09496 Da
Monoisotopic Mass: -1.3
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]+	129.10224	127.8
[M+Na]+	151.08418	132.1
[M-H]-	127.08768	127.3
[M+NH4]+	146.12878	146.8
[M+K]+	167.05812	130.6
[M+H-H2O]+	111.09222	121.6
[M+HCOO]-	173.09316	146.0
[M+CH3COO]-	187.10881	169.5
[M+Na-2H]-	149.06963	132.1
[M]+	128.09441	119.2
[M]-	128.09551	119.2

Literature stripe

literature stripe

Patent stripe

patents stripe