CID 235095

Thiomorpholine-3,5-dione

Structural Information

Molecular Formula

SMILES

C1C(=O)NC(=O)CS1

InChI

InChI=1S/C4H5NO2S/c6-3-1-8-2-4(7)5-3/h1-2H2,(H,5,6,7)

InChIKey

GVJBLPOCCUVISD-UHFFFAOYSA-N

Compound name

thiomorpholine-3,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 87
Patents: 131.0041 Da
Monoisotopic Mass: -0.2
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	124.0
[M+Na]+	153.99332	134.3
[M+NH4]+	149.03792	132.3
[M+K]+	169.96726	127.5
[M-H]-	129.99682	124.4
[M+Na-2H]-	151.97877	127.9
[M]+	131.00355	125.7
[M]-	131.00465	125.7

Literature stripe

literature stripe

Patent stripe

patents stripe