CID 101539672

Tert-butyl 8-hydroxy-6-thia-2-azaspiro[3.4]octane-2-carboxylate 6,6-dioxide

Structural Information

Molecular Formula
C11H19NO5S
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)CC2O
InChI
InChI=1S/C11H19NO5S/c1-10(2,3)17-9(14)12-5-11(6-12)7-18(15,16)4-8(11)13/h8,13H,4-7H2,1-3H3
InChIKey
MLPBVLQLVWQEJM-UHFFFAOYSA-N
Compound name
tert-butyl 8-hydroxy-6,6-dioxo-6lambda6-thia-2-azaspiro[3.4]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.0984 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.10568 162.0
[M+Na]+ 300.08762 163.6
[M+NH4]+ 295.13222 165.8
[M+K]+ 316.06156 160.1
[M-H]- 276.09112 156.7
[M+Na-2H]- 298.07307 162.6
[M]+ 277.09785 159.8
[M]- 277.09895 159.8
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.