CID 19180

Butyltripropylammonium iodide

Structural Information

Molecular Formula

C₁₃H₃₀N

SMILES

CCCC[N+](CCC)(CCC)CCC

InChI

InChI=1S/C13H30N/c1-5-9-13-14(10-6-2,11-7-3)12-8-4/h5-13H2,1-4H3/q+1

InChIKey

CIFCGXKXFRLSAF-UHFFFAOYSA-N

Compound name

butyl(tripropyl)azanium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 450
Patents: 200.23782 Da
Monoisotopic Mass: 4.2
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]+	201.24510	151.9
[M+Na]+	223.22704	156.4
[M-H]-	199.23054	153.0
[M+NH4]+	218.27164	172.2
[M+K]+	239.20098	150.1
[M+H-H2O]+	183.23508	149.5
[M+HCOO]-	245.23602	174.1
[M+CH3COO]-	259.25167	190.1
[M+Na-2H]-	221.21249	159.1
[M]+	200.23727	154.9
[M]-	200.23837	154.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe