CID 165943759

5lambda6-thia-6-azaspiro[3.4]octane-5,5-dione

Structural Information

Molecular Formula
C6H11NO2S
SMILES
C1CC2(C1)CCNS2(=O)=O
InChI
InChI=1S/C6H11NO2S/c8-10(9)6(2-1-3-6)4-5-7-10/h7H,1-5H2
InChIKey
IIXROOSHEIZRBP-UHFFFAOYSA-N
Compound name
5lambda6-thia-6-azaspiro[3.4]octane 5,5-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.05106 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.05834 126.5
[M+Na]+ 184.04028 133.2
[M-H]- 160.04378 129.7
[M+NH4]+ 179.08488 144.9
[M+K]+ 200.01422 133.8
[M+H-H2O]+ 144.04832 118.1
[M+HCOO]- 206.04926 140.9
[M+CH3COO]- 220.06491 171.1
[M+Na-2H]- 182.02573 131.1
[M]+ 161.05051 133.0
[M]- 161.05161 133.0
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.