CID 134183096

2172654-94-1

Structural Information

Molecular Formula
C13H21NO5S
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CS(=O)(=O)CC2=O
InChI
InChI=1S/C13H21NO5S/c1-12(2,3)19-11(16)14-6-4-13(5-7-14)9-20(17,18)8-10(13)15/h4-9H2,1-3H3
InChIKey
ZPMRZUORAURJPN-UHFFFAOYSA-N
Compound name
tert-butyl 2,2,4-trioxo-2lambda6-thia-8-azaspiro[4.5]decane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

303.11404 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.12132 166.0
[M+Na]+ 326.10326 173.0
[M-H]- 302.10676 169.9
[M+NH4]+ 321.14786 186.3
[M+K]+ 342.07720 171.8
[M+H-H2O]+ 286.11130 162.4
[M+HCOO]- 348.11224 177.1
[M+CH3COO]- 362.12789 195.4
[M+Na-2H]- 324.08871 168.0
[M]+ 303.11349 167.2
[M]- 303.11459 167.2
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

patents stripe