CID 126818132

1934467-89-6

Structural Information

Molecular Formula
C7H11NO3S
SMILES
C1CC2CNC(=O)CC1S2(=O)=O
InChI
InChI=1S/C7H11NO3S/c9-7-3-5-1-2-6(4-8-7)12(5,10)11/h5-6H,1-4H2,(H,8,9)
InChIKey
FPMCDVAYTDSMRL-UHFFFAOYSA-N
Compound name
9,9-dioxo-9lambda6-thia-3-azabicyclo[4.2.1]nonan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.04596 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.05324 136.7
[M+Na]+ 212.03518 143.4
[M-H]- 188.03868 138.3
[M+NH4]+ 207.07978 158.5
[M+K]+ 228.00912 143.7
[M+H-H2O]+ 172.04322 132.7
[M+HCOO]- 234.04416 149.0
[M+CH3COO]- 248.05981 177.0
[M+Na-2H]- 210.02063 139.7
[M]+ 189.04541 132.8
[M]- 189.04651 132.8
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.