CID 10920

Pentamethonium

Structural Information

Molecular Formula

C₁₁H₂₈N₂

SMILES

C[N+](C)(C)CCCCC[N+](C)(C)C

InChI

InChI=1S/C11H28N2/c1-12(2,3)10-8-7-9-11-13(4,5)6/h7-11H2,1-6H3/q+2

InChIKey

XUSPWDAHGXSTHS-UHFFFAOYSA-N

Compound name

trimethyl-[5-(trimethylazaniumyl)pentyl]azanium

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 52
References: 1565
Patents: 188.22525 Da
Monoisotopic Mass: 1.4
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]+	189.23253	140.6
[M+Na]+	211.21447	145.9
[M-H]-	187.21797	143.9
[M+NH4]+	206.25907	161.5
[M+K]+	227.18841	136.0
[M+H-H2O]+	171.22251	141.6
[M+HCOO]-	233.22345	163.7
[M+CH3COO]-	247.23910	186.3
[M+Na-2H]-	209.19992	153.1
[M]+	188.22470	141.6
[M]-	188.22580	141.6

Literature stripe

literature stripe

Patent stripe

patents stripe