CID 165992483

1lambda6,2,7-thiadiazonane-1,1,6-trione

Structural Information

Molecular Formula
C6H12N2O3S
SMILES
C1CC(=O)NCCS(=O)(=O)NC1
InChI
InChI=1S/C6H12N2O3S/c9-6-2-1-3-8-12(10,11)5-4-7-6/h8H,1-5H2,(H,7,9)
InChIKey
KUPDPZXHYRJTOE-UHFFFAOYSA-N
Compound name
1,1-dioxo-1,2,7-thiadiazonan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.05687 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.06415 193.5
[M+Na]+ 215.04609 196.1
[M-H]- 191.04959 193.7
[M+NH4]+ 210.09069 194.0
[M+K]+ 231.02003 193.6
[M+H-H2O]+ 175.05413 185.5
[M+HCOO]- 237.05507 194.6
[M+CH3COO]- 251.07072 195.3
[M+Na-2H]- 213.03154 196.2
[M]+ 192.05632 194.2
[M]- 192.05742 194.2
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.