CID 137943959

2287274-15-9

Structural Information

Molecular Formula
C13H22N2O5S
SMILES
CC(C)(C)OC(=O)N1CC2(C1)C(CCS2(=N)=O)C(=O)OC
InChI
InChI=1S/C13H22N2O5S/c1-12(2,3)20-11(17)15-7-13(8-15)9(10(16)19-4)5-6-21(13,14)18/h9,14H,5-8H2,1-4H3
InChIKey
OFQRKFYGQPKCEU-UHFFFAOYSA-N
Compound name
2-O-tert-butyl 8-O-methyl 5-imino-5-oxo-5lambda6-thia-2-azaspiro[3.4]octane-2,8-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.12494 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.13222 170.0
[M+Na]+ 341.11416 173.5
[M-H]- 317.11766 173.4
[M+NH4]+ 336.15876 182.3
[M+K]+ 357.08810 175.8
[M+H-H2O]+ 301.12220 161.0
[M+HCOO]- 363.12314 181.2
[M+CH3COO]- 377.13879 204.7
[M+Na-2H]- 339.09961 170.8
[M]+ 318.12439 181.2
[M]- 318.12549 181.2
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

No patent data available for this compound.