CID 3048298

63887-43-4

Structural Information

Molecular Formula

C₂₀H₄₂N₂

SMILES

CC[N+]1(CCCCC1)CCCCCC[N+]2(CCCCC2)CC

InChI

InChI=1S/C20H42N2/c1-3-21(17-11-7-12-18-21)15-9-5-6-10-16-22(4-2)19-13-8-14-20-22/h3-20H2,1-2H3/q+2

InChIKey

NUUKKJWGGVFESS-UHFFFAOYSA-N

Compound name

1-ethyl-1-[6-(1-ethylpiperidin-1-ium-1-yl)hexyl]piperidin-1-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 310.3348 Da
Monoisotopic Mass: 4.2
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]+	311.342076	182.7
[M+Na]+	333.324018	181.9
[M-H]-	309.327524	183.7
[M+NH4]+	328.368623	197.4
[M+K]+	349.297958	167.6
[M+H-H2O]+	293.332060	178.4
[M+HCOO]-	355.333001	192.6
[M+CH3COO]-	369.348651	195.1
[M+Na-2H]-	331.309466	187.5
[M]+	310.33425142	173.6
[M]-	310.33534858	173.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe