CID 85598607

Pipamperone metabolite m-vi

Structural Information

Molecular Formula

C₁₁H₁₉N₃O

SMILES

C1CN(CC=C1)C2(CCNCC2)C(=O)N

InChI

InChI=1S/C11H19N3O/c12-10(15)11(4-6-13-7-5-11)14-8-2-1-3-9-14/h1-2,13H,3-9H2,(H2,12,15)

InChIKey

DVFTWVSQMSTJHX-UHFFFAOYSA-N

Compound name

4-(3,6-dihydro-2H-pyridin-1-yl)piperidine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 209.15282 Da
Monoisotopic Mass: -0.2
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]+	210.160096	150.5
[M+Na]+	232.142038	152.9
[M-H]-	208.145544	151.0
[M+NH4]+	227.186643	166.3
[M+K]+	248.115978	150.0
[M+H-H2O]+	192.150080	142.3
[M+HCOO]-	254.151021	164.3
[M+CH3COO]-	268.166671	183.5
[M+Na-2H]-	230.127486	153.9
[M]+	209.15227142	139.3
[M]-	209.15336858	139.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.