CID 15179916

Thiazole n-oxide

Structural Information

Molecular Formula

SMILES

C1=CSC=[N+]1[O-]

InChI

InChI=1S/C3H3NOS/c5-4-1-2-6-3-4/h1-3H

InChIKey

GOAOVHAQURCJSU-UHFFFAOYSA-N

Compound name

3-oxido-1,3-thiazol-3-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 215
Patents: 100.99354 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]+	102.00082	112.2
[M+Na]+	123.98276	125.6
[M+NH4]+	119.02736	122.5
[M+K]+	139.95670	121.6
[M-H]-	99.986264	114.9
[M+Na-2H]-	121.96821	118.6
[M]+	100.99299	115.3
[M]-	100.99409	115.3

Literature stripe

literature stripe

Patent stripe

patents stripe