CID 211628

23489-01-2

Structural Information

Molecular Formula

C₁₅H₃₂N

SMILES

CCCCCCCC[N+]1(CCCCC1)CC

InChI

InChI=1S/C15H32N/c1-3-5-6-7-8-10-13-16(4-2)14-11-9-12-15-16/h3-15H2,1-2H3/q+1

InChIKey

LEUGKTPQPGHFDC-UHFFFAOYSA-N

Compound name

1-ethyl-1-octylpiperidin-1-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 226.25348 Da
Monoisotopic Mass: 4.9
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]+	227.260756	159.3
[M+Na]+	249.242698	161.8
[M-H]-	225.246204	159.7
[M+NH4]+	244.287303	177.9
[M+K]+	265.216638	153.9
[M+H-H2O]+	209.250740	155.3
[M+HCOO]-	271.251681	175.8
[M+CH3COO]-	285.267331	186.6
[M+Na-2H]-	247.228146	164.5
[M]+	226.25293142	156.2
[M]-	226.25402858	156.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe