CID 16740519

2-(piperidin-3-yl)azepane

Structural Information

Molecular Formula

C₁₁H₂₂N₂

SMILES

C1CCC(NCC1)C2CCCNC2

InChI

InChI=1S/C11H22N2/c1-2-6-11(13-8-3-1)10-5-4-7-12-9-10/h10-13H,1-9H2

InChIKey

NILYFVLXUNTUTG-UHFFFAOYSA-N

Compound name

2-piperidin-3-ylazepane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 182.1783 Da
Monoisotopic Mass: 1.4
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]+	183.18558	145.7
[M+Na]+	205.16752	153.1
[M+NH4]+	200.21212	153.1
[M+K]+	221.14146	148.3
[M-H]-	181.17102	147.5
[M+Na-2H]-	203.15297	150.3
[M]+	182.17775	147.0
[M]-	182.17885	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.