CID 158284

1-hexanaminium, n-hexyl-n,n-dimethyl-, chloride

Structural Information

Molecular Formula

C₁₄H₃₂N

SMILES

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

InChI

InChI=1S/C14H32N/c1-5-7-9-11-13-15(3,4)14-12-10-8-6-2/h5-14H2,1-4H3/q+1

InChIKey

BVYKZCWFDFGEDY-UHFFFAOYSA-N

Compound name

dihexyl(dimethyl)azanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 796
Patents: 214.25348 Da
Monoisotopic Mass: 4.9
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]+	215.26076	156.7
[M+Na]+	237.24270	160.7
[M-H]-	213.24620	157.5
[M+NH4]+	232.28730	176.3
[M+K]+	253.21664	154.1
[M+H-H2O]+	197.25074	154.0
[M+HCOO]-	259.25168	178.5
[M+CH3COO]-	273.26733	193.2
[M+Na-2H]-	235.22815	163.3
[M]+	214.25293	160.0
[M]-	214.25403	160.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe