CID 44630345

Hexyldimethyloctylammonium bromide

Structural Information

Molecular Formula

C₁₆H₃₆N

SMILES

CCCCCCCC[N+](C)(C)CCCCCC

InChI

InChI=1S/C16H36N/c1-5-7-9-11-12-14-16-17(3,4)15-13-10-8-6-2/h5-16H2,1-4H3/q+1

InChIKey

AYEWPUXSRBYGQC-UHFFFAOYSA-N

Compound name

hexyl-dimethyl-octylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 207
Patents: 242.28477 Da
Monoisotopic Mass: 6.0
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]+	243.29205	166.0
[M+Na]+	265.27399	169.3
[M-H]-	241.27749	166.5
[M+NH4]+	260.31859	184.6
[M+K]+	281.24793	162.1
[M+H-H2O]+	225.28203	163.0
[M+HCOO]-	287.28297	187.2
[M+CH3COO]-	301.29862	199.2
[M+Na-2H]-	263.25944	171.6
[M]+	242.28422	170.2
[M]-	242.28532	170.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe