CID 15276766

174466-64-9

Structural Information

Molecular Formula
C5H10N2O3S
SMILES
CC(C)[C@H]1C(=O)NS(=O)(=O)N1
InChI
InChI=1S/C5H10N2O3S/c1-3(2)4-5(8)7-11(9,10)6-4/h3-4,6H,1-2H3,(H,7,8)/t4-/m0/s1
InChIKey
ARGDYBLGWYGDMM-BYPYZUCNSA-N
Compound name
(4S)-1,1-dioxo-4-propan-2-yl-1,2,5-thiadiazolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.04121 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.04849 133.6
[M+Na]+ 201.03043 142.9
[M-H]- 177.03393 132.5
[M+NH4]+ 196.07503 154.1
[M+K]+ 217.00437 140.3
[M+H-H2O]+ 161.03847 129.4
[M+HCOO]- 223.03941 146.6
[M+CH3COO]- 237.05506 170.6
[M+Na-2H]- 199.01588 134.3
[M]+ 178.04066 132.3
[M]- 178.04176 132.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.