CID 511920

Chembl116950

Structural Information

Molecular Formula

C₁₆H₂₇N

SMILES

CN1CCCCC1C2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C16H27N/c1-17-5-3-2-4-15(17)16-13-7-11-6-12(9-13)10-14(16)8-11/h11-16H,2-10H2,1H3

InChIKey

FKVDYJJHHHHRGO-UHFFFAOYSA-N

Compound name

2-(2-adamantyl)-1-methylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 233.21436 Da
Monoisotopic Mass: 4.5
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]+	234.22164	155.0
[M+Na]+	256.20358	154.3
[M-H]-	232.20708	150.9
[M+NH4]+	251.24818	176.1
[M+K]+	272.17752	150.2
[M+H-H2O]+	216.21162	146.5
[M+HCOO]-	278.21256	157.0
[M+CH3COO]-	292.22821	161.6
[M+Na-2H]-	254.18903	161.0
[M]+	233.21381	149.5
[M]-	233.21491	149.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.