CID 512341

Chembl419570

Structural Information

Molecular Formula

C₁₆H₂₇N

SMILES

CCN1CCCC1C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C16H27N/c1-2-17-5-3-4-15(17)16-9-12-6-13(10-16)8-14(7-12)11-16/h12-15H,2-11H2,1H3

InChIKey

ZOZSPXRFPOGNPG-UHFFFAOYSA-N

Compound name

2-(1-adamantyl)-1-ethylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 233.21436 Da
Monoisotopic Mass: 4.1
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	156.3
[M+Na]+	256.20358	157.3
[M-H]-	232.20708	152.7
[M+NH4]+	251.24818	181.3
[M+K]+	272.17752	152.6
[M+H-H2O]+	216.21162	148.2
[M+HCOO]-	278.21256	160.7
[M+CH3COO]-	292.22821	163.9
[M+Na-2H]-	254.18903	161.6
[M]+	233.21381	153.0
[M]-	233.21491	153.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.