CID 25993

Tetramethonium dibromide

Structural Information

Molecular Formula

C₁₀H₂₆N₂

SMILES

C[N+](C)(C)CCCC[N+](C)(C)C

InChI

InChI=1S/C10H26N2/c1-11(2,3)9-7-8-10-12(4,5)6/h7-10H2,1-6H3/q+2

InChIKey

LPIZAKLZXAWBCA-UHFFFAOYSA-N

Compound name

trimethyl-[4-(trimethylazaniumyl)butyl]azanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 113
Patents: 174.2096 Da
Monoisotopic Mass: 1.0
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]+	175.21688	135.8
[M+Na]+	197.19882	141.5
[M-H]-	173.20232	139.3
[M+NH4]+	192.24342	157.2
[M+K]+	213.17276	131.8
[M+H-H2O]+	157.20686	137.0
[M+HCOO]-	219.20780	159.2
[M+CH3COO]-	233.22345	183.3
[M+Na-2H]-	195.18427	148.8
[M]+	174.20905	136.4
[M]-	174.21015	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe