CID 17963838

2lambda6-thia-3-azabicyclo[2.2.2]octane-2,2-dione

Structural Information

Molecular Formula
C6H11NO2S
SMILES
C1CC2CCC1NS2(=O)=O
InChI
InChI=1S/C6H11NO2S/c8-10(9)6-3-1-5(7-10)2-4-6/h5-7H,1-4H2
InChIKey
WAZHMGBKFKIOPI-UHFFFAOYSA-N
Compound name
2lambda6-thia-3-azabicyclo[2.2.2]octane 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.05106 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.05834 128.6
[M+Na]+ 184.04028 135.1
[M-H]- 160.04378 122.9
[M+NH4]+ 179.08488 154.3
[M+K]+ 200.01422 133.0
[M+H-H2O]+ 144.04832 125.3
[M+HCOO]- 206.04926 134.8
[M+CH3COO]- 220.06491 139.7
[M+Na-2H]- 182.02573 140.5
[M]+ 161.05051 130.5
[M]- 161.05161 130.5
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.