CID 132398475

176673-05-5

Structural Information

Molecular Formula
C6H10N2O3S
SMILES
C1CCN2C(C1)C(=O)NS2(=O)=O
InChI
InChI=1S/C6H10N2O3S/c9-6-5-3-1-2-4-8(5)12(10,11)7-6/h5H,1-4H2,(H,7,9)
InChIKey
FJYLOXNAFJBDEB-UHFFFAOYSA-N
Compound name
1,1-dioxo-4,5,6,7-tetrahydro-3aH-[1,2,5]thiadiazolo[2,3-a]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.04121 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.04849 139.7
[M+Na]+ 213.03043 148.4
[M+NH4]+ 208.07503 148.2
[M+K]+ 229.00437 142.1
[M-H]- 189.03393 138.3
[M+Na-2H]- 211.01588 142.2
[M]+ 190.04066 140.7
[M]- 190.04176 140.7
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.