CID 74733

1,2-dipiperidinoethane

Structural Information

Molecular Formula

C₁₂H₂₄N₂

SMILES

C1CCN(CC1)CCN2CCCCC2

InChI

InChI=1S/C12H24N2/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12H2

InChIKey

UYMQPNRUQXPLCY-UHFFFAOYSA-N

Compound name

1-(2-piperidin-1-ylethyl)piperidine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 12
References: 2998
Patents: 196.19395 Da
Monoisotopic Mass: 2.0
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]+	197.201226	150.3
[M+Na]+	219.183168	151.4
[M-H]-	195.186674	151.5
[M+NH4]+	214.227773	165.9
[M+K]+	235.157108	149.1
[M+H-H2O]+	179.191210	140.9
[M+HCOO]-	241.192151	163.9
[M+CH3COO]-	255.207801	183.6
[M+Na-2H]-	217.168616	153.1
[M]+	196.19340142	140.9
[M]-	196.19449858	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe