CID 64488

Phenyladamantylpiperidine

Structural Information

Molecular Formula

C₂₁H₂₉N

SMILES

C1CCN(CC1)C2(C3CC4CC(C3)CC2C4)C5=CC=CC=C5

InChI

InChI=1S/C21H29N/c1-3-7-18(8-4-1)21(22-9-5-2-6-10-22)19-12-16-11-17(14-19)15-20(21)13-16/h1,3-4,7-8,16-17,19-20H,2,5-6,9-15H2

InChIKey

KBLCCZWZKWPYJM-UHFFFAOYSA-N

Compound name

1-(2-phenyl-2-adamantyl)piperidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 0
Patents: 295.23 Da
Monoisotopic Mass: 4.8
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]+	296.237276	167.1
[M+Na]+	318.219218	165.8
[M-H]-	294.222724	165.5
[M+NH4]+	313.263823	186.7
[M+K]+	334.193158	159.9
[M+H-H2O]+	278.227260	155.0
[M+HCOO]-	340.228201	168.8
[M+CH3COO]-	354.243851	172.6
[M+Na-2H]-	316.204666	173.9
[M]+	295.22945142	160.3
[M]-	295.23054858	160.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.