CID 139022736

2344681-17-8

Structural Information

Molecular Formula
C12H22N2O4S
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CNS(=O)(=O)C2
InChI
InChI=1S/C12H22N2O4S/c1-11(2,3)18-10(15)14-6-4-12(5-7-14)8-13-19(16,17)9-12/h13H,4-9H2,1-3H3
InChIKey
ZPDHIPOWAHMJLI-UHFFFAOYSA-N
Compound name
tert-butyl 2,2-dioxo-2lambda6-thia-3,8-diazaspiro[4.5]decane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.13004 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.13732 165.8
[M+Na]+ 313.11926 171.9
[M-H]- 289.12276 166.7
[M+NH4]+ 308.16386 184.5
[M+K]+ 329.09320 170.0
[M+H-H2O]+ 273.12730 161.3
[M+HCOO]- 335.12824 174.1
[M+CH3COO]- 349.14389 190.2
[M+Na-2H]- 311.10471 167.6
[M]+ 290.12949 164.0
[M]- 290.13059 164.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.