CID 67159

Prolonium iodide

Structural Information

Molecular Formula

C₉H₂₄N₂O

SMILES

C[N+](C)(C)CC(C[N+](C)(C)C)O

InChI

InChI=1S/C9H24N2O/c1-10(2,3)7-9(12)8-11(4,5)6/h9,12H,7-8H2,1-6H3/q+2

InChIKey

SEOAESNTVSJYIF-UHFFFAOYSA-N

Compound name

[2-hydroxy-3-(trimethylazaniumyl)propyl]-trimethylazanium

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 570
Patents: 176.18886 Da
Monoisotopic Mass: -0.3
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]+	177.19614	138.3
[M+Na]+	199.17808	150.4
[M+NH4]+	194.22268	148.2
[M+K]+	215.15202	147.7
[M-H]-	175.18158	141.8
[M+Na-2H]-	197.16353	144.2
[M]+	176.18831	141.8
[M]-	176.18941	141.8

Literature stripe

literature stripe

Patent stripe

patents stripe