CID 108191

Ammodendrine

Structural Information

Molecular Formula

C₁₂H₂₀N₂O

SMILES

CC(=O)N1CCCC(=C1)C2CCCCN2

InChI

InChI=1S/C12H20N2O/c1-10(15)14-8-4-5-11(9-14)12-6-2-3-7-13-12/h9,12-13H,2-8H2,1H3

InChIKey

APKLQIQRPUDADG-UHFFFAOYSA-N

Compound name

1-(5-piperidin-2-yl-3,4-dihydro-2H-pyridin-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 10
References: 11
Patents: 208.15756 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]+	209.16484	151.3
[M+Na]+	231.14678	154.2
[M-H]-	207.15028	152.2
[M+NH4]+	226.19138	166.1
[M+K]+	247.12072	151.0
[M+H-H2O]+	191.15482	142.8
[M+HCOO]-	253.15576	164.3
[M+CH3COO]-	267.17141	183.1
[M+Na-2H]-	229.13223	152.9
[M]+	208.15701	142.0
[M]-	208.15811	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe