CID 40417

Adamantane, 1-(2-piperidinoethyl)-, hydrochloride

Structural Information

Molecular Formula

C₁₇H₂₉N

SMILES

C1CCN(CC1)CCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C17H29N/c1-2-5-18(6-3-1)7-4-17-11-14-8-15(12-17)10-16(9-14)13-17/h14-16H,1-13H2

InChIKey

CJCMUZASNXCVSJ-UHFFFAOYSA-N

Compound name

1-[2-(1-adamantyl)ethyl]piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 247.23 Da
Monoisotopic Mass: 4.9
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]+	248.237276	159.3
[M+Na]+	270.219218	157.7
[M-H]-	246.222724	154.6
[M+NH4]+	265.263823	181.2
[M+K]+	286.193158	153.1
[M+H-H2O]+	230.227260	149.4
[M+HCOO]-	292.228201	161.0
[M+CH3COO]-	306.243851	165.2
[M+Na-2H]-	268.204666	166.6
[M]+	247.22945142	153.6
[M]-	247.23054858	153.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.