CID 5323781

4h-1,4-thiazine 1,1-dioxide

Structural Information

Molecular Formula

SMILES

C1=CS(=O)(=O)C=CN1

InChI

InChI=1S/C4H5NO2S/c6-8(7)3-1-5-2-4-8/h1-5H

InChIKey

NWLNAEYJAVKHGR-UHFFFAOYSA-N

Compound name

4H-1,4-thiazine 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 131.0041 Da
Monoisotopic Mass: -0.5
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]+	132.01138	119.6
[M+Na]+	153.99332	129.2
[M-H]-	129.99682	121.2
[M+NH4]+	149.03792	141.9
[M+K]+	169.96726	126.8
[M+H-H2O]+	114.00136	115.0
[M+HCOO]-	176.00230	137.1
[M+CH3COO]-	190.01795	162.4
[M+Na-2H]-	151.97877	126.8
[M]+	131.00355	118.9
[M]-	131.00465	118.9

Literature stripe

literature stripe

Patent stripe

patents stripe