CID 102103427

1453315-78-0

Structural Information

Molecular Formula
C11H19NO5S
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CC(CS2(=O)=O)O
InChI
InChI=1S/C11H19NO5S/c1-10(2,3)17-9(14)12-6-11(7-12)4-8(13)5-18(11,15)16/h8,13H,4-7H2,1-3H3
InChIKey
ZKCKSGZYCIBCKJ-UHFFFAOYSA-N
Compound name
tert-butyl 7-hydroxy-5,5-dioxo-5lambda6-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

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.10568 157.5
[M+Na]+ 300.08762 162.7
[M-H]- 276.09112 160.2
[M+NH4]+ 295.13222 171.4
[M+K]+ 316.06156 164.5
[M+H-H2O]+ 260.09566 149.6
[M+HCOO]- 322.09660 168.1
[M+CH3COO]- 336.11225 192.3
[M+Na-2H]- 298.07307 159.3
[M]+ 277.09785 168.5
[M]- 277.09895 168.5
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.