CID 467467

Chembl57280

Structural Information

Molecular Formula

C₂₂H₃₈N₂

SMILES

C1CCN(CC1)CCN2CCCCC2C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H38N2/c1-3-7-23(8-4-1)10-11-24-9-5-2-6-21(24)22-15-18-12-19(16-22)14-20(13-18)17-22/h18-21H,1-17H2

InChIKey

XIFDFNPXYSKKEK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 330.3035 Da
Monoisotopic Mass: 5.0
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]+	331.310776	178.1
[M+Na]+	353.292718	173.2
[M-H]-	329.296224	173.3
[M+NH4]+	348.337323	194.5
[M+K]+	369.266658	167.6
[M+H-H2O]+	313.300760	164.5
[M+HCOO]-	375.301701	173.8
[M+CH3COO]-	389.317351	180.6
[M+Na-2H]-	351.278166	181.1
[M]+	330.30295142	167.8
[M]-	330.30404858	167.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.