CID 40427

Adamantane, 1-(3-(1-pyrrolidinyl)propyl)-, hydrochloride

Structural Information

Molecular Formula

C₁₇H₂₉N

SMILES

C1CCN(C1)CCCC23CC4CC(C2)CC(C4)C3

InChI

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

InChIKey

NVKIUKCGBRTUQB-UHFFFAOYSA-N

Compound name

1-[3-(1-adamantyl)propyl]pyrrolidine

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	159.8
[M+Na]+	270.219218	159.4
[M-H]-	246.222724	155.6
[M+NH4]+	265.263823	183.9
[M+K]+	286.193158	154.5
[M+H-H2O]+	230.227260	151.2
[M+HCOO]-	292.228201	163.9
[M+CH3COO]-	306.243851	166.6
[M+Na-2H]-	268.204666	165.2
[M]+	247.22945142	156.4
[M]-	247.23054858	156.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.