CID 457918

62032-12-6

Structural Information

Molecular Formula

C₅H₆N₂O₂S₂

SMILES

C1C2(CSS1)C(=O)NC(=O)N2

InChI

InChI=1S/C5H6N2O2S2/c8-3-5(1-10-11-2-5)7-4(9)6-3/h1-2H2,(H2,6,7,8,9)

InChIKey

DPGBTPQJLUGDOZ-UHFFFAOYSA-N

Compound name

7,8-dithia-1,3-diazaspiro[4.4]nonane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 189.98708 Da
Monoisotopic Mass: -0.7
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]+	190.99436	137.4
[M+Na]+	212.97630	146.8
[M-H]-	188.97980	138.0
[M+NH4]+	208.02090	159.6
[M+K]+	228.95024	143.1
[M+H-H2O]+	172.98434	133.8
[M+HCOO]-	234.98528	145.5
[M+CH3COO]-	249.00093	149.3
[M+Na-2H]-	210.96175	136.5
[M]+	189.98653	133.8
[M]-	189.98763	133.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.