CID 165842942

2138152-79-9

Structural Information

Molecular Formula
C13H22N2O5S
SMILES
CC(C)(C)OC(=O)N1CCCC2(C1)C(=O)CS(=O)(=O)N2C
InChI
InChI=1S/C13H22N2O5S/c1-12(2,3)20-11(17)15-7-5-6-13(9-15)10(16)8-21(18,19)14(13)4/h5-9H2,1-4H3
InChIKey
ZVHTYKVZQBHOSN-UHFFFAOYSA-N
Compound name
tert-butyl 1-methyl-2,2,4-trioxo-2lambda6-thia-1,9-diazaspiro[4.5]decane-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.12494 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.13222 168.3
[M+Na]+ 341.11416 176.1
[M-H]- 317.11766 171.2
[M+NH4]+ 336.15876 187.0
[M+K]+ 357.08810 174.9
[M+H-H2O]+ 301.12220 164.3
[M+HCOO]- 363.12314 178.1
[M+CH3COO]- 377.13879 199.5
[M+Na-2H]- 339.09961 169.7
[M]+ 318.12439 170.4
[M]- 318.12549 170.4
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.