CID 67159

Prolonium

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

5
Annotation Hits: 4
References: 607
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	134.0
[M+Na]+	199.17808	139.4
[M-H]-	175.18158	136.3
[M+NH4]+	194.22268	154.5
[M+K]+	215.15202	129.9
[M+H-H2O]+	159.18612	135.5
[M+HCOO]-	221.18706	155.6
[M+CH3COO]-	235.20271	179.6
[M+Na-2H]-	197.16353	146.1
[M]+	176.18831	133.0
[M]-	176.18941	133.0

Literature stripe

literature stripe

Patent stripe

patents stripe