CID 10543174

255825-38-8

Structural Information

Molecular Formula

C₁₀H₁₆N₃OS

SMILES

CN(C)C(=[N+](C)C)SC1=CC=CC=[N+]1[O-]

InChI

InChI=1S/C10H16N3OS/c1-11(2)10(12(3)4)15-9-7-5-6-8-13(9)14/h5-8H,1-4H3/q+1

InChIKey

YIXZNFPSRGJXHQ-UHFFFAOYSA-N

Compound name

[dimethylamino-(1-oxidopyridin-1-ium-2-yl)sulfanylmethylidene]-dimethylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 561
Patents: 226.10141 Da
Monoisotopic Mass: 0.6
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]+	227.10869	147.5
[M+Na]+	249.09063	153.2
[M-H]-	225.09413	151.5
[M+NH4]+	244.13523	164.1
[M+K]+	265.06457	141.9
[M+H-H2O]+	209.09867	147.4
[M+HCOO]-	271.09961	165.9
[M+CH3COO]-	285.11526	182.2
[M+Na-2H]-	247.07608	153.3
[M]+	226.10086	145.6
[M]-	226.10196	145.6

Literature stripe

literature stripe

Patent stripe

patents stripe