CID 172268

Dpe-di-n-oxide

Structural Information

Molecular Formula

C₁₂H₂₄N₂O₂

SMILES

C1CC[N+](CC1)(CC[N+]2(CCCCC2)[O-])[O-]

InChI

InChI=1S/C12H24N2O2/c15-13(7-3-1-4-8-13)11-12-14(16)9-5-2-6-10-14/h1-12H2

InChIKey

VHFJBAOBJDUUAL-UHFFFAOYSA-N

Compound name

1-oxido-1-[2-(1-oxidopiperidin-1-ium-1-yl)ethyl]piperidin-1-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 228.18378 Da
Monoisotopic Mass: 0.9
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]+	229.19106	161.8
[M+Na]+	251.17300	174.3
[M+NH4]+	246.21760	173.4
[M+K]+	267.14694	166.9
[M-H]-	227.17650	166.5
[M+Na-2H]-	249.15845	168.9
[M]+	228.18323	165.1
[M]-	228.18433	165.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.