CID 3074209

Thiazolidino(3,4-a)piperazine-5,8-dione

Structural Information

Molecular Formula

C₆H₈N₂O₂S

SMILES

C1C2C(=O)NCC(=O)N2CS1

InChI

InChI=1S/C6H8N2O2S/c9-5-1-7-6(10)4-2-11-3-8(4)5/h4H,1-3H2,(H,7,10)

InChIKey

LYWPLTHMYVJTEA-UHFFFAOYSA-N

Compound name

3,6,7,8a-tetrahydro-1H-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 172.03065 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]+	173.037926	134.0
[M+Na]+	195.019868	142.3
[M-H]-	171.023374	134.3
[M+NH4]+	190.064473	154.5
[M+K]+	210.993808	139.6
[M+H-H2O]+	155.027910	128.6
[M+HCOO]-	217.028851	146.1
[M+CH3COO]-	231.044501	172.4
[M+Na-2H]-	193.005316	135.4
[M]+	172.03010142	130.8
[M]-	172.03119858	130.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.