CID 9835339

Schembl1842974

Structural Information

Molecular Formula

C₁₆H₃₆N

SMILES

CCCCCCCCCC[N+](CC)(CC)CC

InChI

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

InChIKey

FMGOXRYKYRAOGN-UHFFFAOYSA-N

Compound name

decyl(triethyl)azanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 484
Patents: 242.28477 Da
Monoisotopic Mass: 5.9
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]+	243.292046	166.0
[M+Na]+	265.273988	169.3
[M-H]-	241.277494	166.5
[M+NH4]+	260.318593	184.6
[M+K]+	281.247928	162.1
[M+H-H2O]+	225.282030	163.0
[M+HCOO]-	287.282971	187.2
[M+CH3COO]-	301.298621	199.2
[M+Na-2H]-	263.259436	171.6
[M]+	242.28422142	170.2
[M]-	242.28531858	170.2

Literature stripe

literature stripe

Patent stripe

patents stripe