CID 165950677

1lambda6,2,5,8-thiatriazecane-1,1,7-trione

Structural Information

Molecular Formula
C6H13N3O3S
SMILES
C1CNS(=O)(=O)CCNC(=O)CN1
InChI
InChI=1S/C6H13N3O3S/c10-6-5-7-1-2-9-13(11,12)4-3-8-6/h7,9H,1-5H2,(H,8,10)
InChIKey
CFZBRAWPAIHQOS-UHFFFAOYSA-N
Compound name
1,1-dioxo-1,2,5,8-thiatriazecan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.06776 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.07504 143.0
[M+Na]+ 230.05698 149.3
[M-H]- 206.06048 135.5
[M+NH4]+ 225.10158 155.3
[M+K]+ 246.03092 146.1
[M+H-H2O]+ 190.06502 140.1
[M+HCOO]- 252.06596 150.0
[M+CH3COO]- 266.08161 167.0
[M+Na-2H]- 228.04243 144.4
[M]+ 207.06721 132.9
[M]- 207.06831 132.9
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.