CID 93270

N-acetylhystrine

Structural Information

Molecular Formula

C₁₂H₁₈N₂O

SMILES

CC(=O)N1CCCC(=C1)C2=NCCCC2

InChI

InChI=1S/C12H18N2O/c1-10(15)14-8-4-5-11(9-14)12-6-2-3-7-13-12/h9H,2-8H2,1H3

InChIKey

VGALILHZAQZXRB-UHFFFAOYSA-N

Compound name

1-[5-(2,3,4,5-tetrahydropyridin-6-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 206.1419 Da
Monoisotopic Mass: 0.4
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]+	207.149176	148.7
[M+Na]+	229.131118	153.1
[M-H]-	205.134624	151.4
[M+NH4]+	224.175723	164.4
[M+K]+	245.105058	150.6
[M+H-H2O]+	189.139160	139.9
[M+HCOO]-	251.140101	164.7
[M+CH3COO]-	265.155751	185.3
[M+Na-2H]-	227.116566	151.9
[M]+	206.14135142	142.8
[M]-	206.14244858	142.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.