CID 3012262

Chembl66799

Structural Information

Molecular Formula

C₁₆H₂₇N

SMILES

CCN1CCC(C1)C2C3CC4CC(C3)CC2C4

InChI

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

InChIKey

ZTPIYOZDCMONDI-UHFFFAOYSA-N

Compound name

3-(2-adamantyl)-1-ethylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 233.21436 Da
Monoisotopic Mass: 4.3
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	155.5
[M+Na]+	256.20358	156.1
[M-H]-	232.20708	152.0
[M+NH4]+	251.24818	178.8
[M+K]+	272.17752	151.7
[M+H-H2O]+	216.21162	148.3
[M+HCOO]-	278.21256	159.9
[M+CH3COO]-	292.22821	163.1
[M+Na-2H]-	254.18903	159.6
[M]+	233.21381	152.3
[M]-	233.21491	152.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.