CID 208203

31785-74-7

Structural Information

Molecular Formula

C₁₂H₂₂N₂

SMILES

CN1CCCC1C2CN3CCC2CC3

InChI

InChI=1S/C12H22N2/c1-13-6-2-3-12(13)11-9-14-7-4-10(11)5-8-14/h10-12H,2-9H2,1H3

InChIKey

XHBGHNMVPQNIHV-UHFFFAOYSA-N

Compound name

3-(1-methylpyrrolidin-2-yl)-1-azabicyclo[2.2.2]octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 194.1783 Da
Monoisotopic Mass: 1.6
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]+	195.185576	144.4
[M+Na]+	217.167518	147.4
[M-H]-	193.171024	140.8
[M+NH4]+	212.212123	167.2
[M+K]+	233.141458	144.4
[M+H-H2O]+	177.175560	137.4
[M+HCOO]-	239.176501	152.4
[M+CH3COO]-	253.192151	153.6
[M+Na-2H]-	215.152966	150.4
[M]+	194.17775142	141.2
[M]-	194.17884858	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.