CID 2734118

Tetraoctylammonium bromide

Structural Information

Molecular Formula

C₃₂H₆₈N

SMILES

CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC

InChI

InChI=1S/C32H68N/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4/h5-32H2,1-4H3/q+1

InChIKey

CHYBTAZWINMGHA-UHFFFAOYSA-N

Compound name

tetraoctylazanium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 69
References: 16030
Patents: 466.5352 Da
Monoisotopic Mass: 13.9
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]+	467.54248	256.2
[M+Na]+	489.52442	262.5
[M-H]-	465.52792	239.6
[M+NH4]+	484.56902	253.2
[M+K]+	505.49836	260.8
[M+H-H2O]+	449.53246	231.8
[M+HCOO]-	511.53340	269.7
[M+CH3COO]-	525.54905	246.6
[M+Na-2H]-	487.50987	240.2
[M]+	466.53465	256.7
[M]-	466.53575	256.7

Literature stripe

literature stripe

Patent stripe

patents stripe