CID 85631

1,3-bis(4-piperidyl)propane

Structural Information

Molecular Formula

C₁₃H₂₆N₂

SMILES

C1CNCCC1CCCC2CCNCC2

InChI

InChI=1S/C13H26N2/c1(2-12-4-8-14-9-5-12)3-13-6-10-15-11-7-13/h12-15H,1-11H2

InChIKey

OXEZLYIDQPBCBB-UHFFFAOYSA-N

Compound name

4-(3-piperidin-4-ylpropyl)piperidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 14
References: 3339
Patents: 210.2096 Da
Monoisotopic Mass: 2.5
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]+	211.21688	155.5
[M+Na]+	233.19882	155.3
[M-H]-	209.20232	153.8
[M+NH4]+	228.24342	169.1
[M+K]+	249.17276	150.9
[M+H-H2O]+	193.20686	146.6
[M+HCOO]-	255.20780	165.7
[M+CH3COO]-	269.22345	181.4
[M+Na-2H]-	231.18427	156.8
[M]+	210.20905	142.8
[M]-	210.21015	142.8

Literature stripe

literature stripe

Patent stripe

patents stripe