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]+ 190.053236 136.7
[M+Na]+ 212.035178 143.4
[M-H]- 188.038684 138.3
[M+NH4]+ 207.079783 158.5
[M+K]+ 228.009118 143.7
[M+H-H2O]+ 172.043220 132.7
[M+HCOO]- 234.044161 149.0
[M+CH3COO]- 248.059811 177.0
[M+Na-2H]- 210.020626 139.7
[M]+ 189.04541142 132.8
[M]- 189.04650858 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.