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]+ 162.058336 126.5
[M+Na]+ 184.040278 133.2
[M-H]- 160.043784 129.7
[M+NH4]+ 179.084883 144.9
[M+K]+ 200.014218 133.8
[M+H-H2O]+ 144.048320 118.1
[M+HCOO]- 206.049261 140.9
[M+CH3COO]- 220.064911 171.1
[M+Na-2H]- 182.025726 131.1
[M]+ 161.05051142 133.0
[M]- 161.05160858 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.