CID 34822

30100-59-5

Structural Information

Molecular Formula

C₂₆H₅₈N₂

SMILES

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

InChI

InChI=1S/C26H58N2/c1-7-9-11-13-15-19-23-27(3,4)25-21-17-18-22-26-28(5,6)24-20-16-14-12-10-8-2/h7-26H2,1-6H3/q+2

InChIKey

MWFRKOJBUDMMNN-UHFFFAOYSA-N

Compound name

6-[dimethyl(octyl)azaniumyl]hexyl-dimethyl-octylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 398.46 Da
Monoisotopic Mass: 8.6
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]+	399.467276	254.2
[M+Na]+	421.449218	261.8
[M-H]-	397.452724	245.3
[M+NH4]+	416.493823	253.3
[M+K]+	437.423158	256.4
[M+H-H2O]+	381.457260	208.7
[M+HCOO]-	443.458201	273.5
[M+CH3COO]-	457.473851	231.0
[M+Na-2H]-	419.434666	215.4
[M]+	398.45945142	254.4
[M]-	398.46054858	254.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe