CID 45730

Diethyldi-n-butylammonium hydroxide

Structural Information

Molecular Formula

C₁₂H₂₈N

SMILES

CCCC[N+](CC)(CC)CCCC

InChI

InChI=1S/C12H28N/c1-5-9-11-13(7-3,8-4)12-10-6-2/h5-12H2,1-4H3/q+1

InChIKey

CDJLHQRURPECEZ-UHFFFAOYSA-N

Compound name

dibutyl(diethyl)azanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 300
Patents: 186.22217 Da
Monoisotopic Mass: 3.5
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]+	187.22945	147.2
[M+Na]+	209.21139	152.1
[M-H]-	185.21489	148.5
[M+NH4]+	204.25599	168.0
[M+K]+	225.18533	146.1
[M+H-H2O]+	169.21943	145.0
[M+HCOO]-	231.22037	169.7
[M+CH3COO]-	245.23602	187.1
[M+Na-2H]-	207.19684	154.9
[M]+	186.22162	149.8
[M]-	186.22272	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe