CID 72207477

1340481-83-5

Structural Information

Molecular Formula
C11H20N2O4S
SMILES
CC(C)(C)OC(=O)N1CC2(C1)C(CCS2(=O)=O)N
InChI
InChI=1S/C11H20N2O4S/c1-10(2,3)17-9(14)13-6-11(7-13)8(12)4-5-18(11,15)16/h8H,4-7,12H2,1-3H3
InChIKey
WMBSIHWRPQTLQI-UHFFFAOYSA-N
Compound name
tert-butyl 8-amino-5,5-dioxo-5lambda6-thia-2-azaspiro[3.4]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

276.11438 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.12166 159.5
[M+Na]+ 299.10360 164.4
[M-H]- 275.10710 162.9
[M+NH4]+ 294.14820 173.5
[M+K]+ 315.07754 166.0
[M+H-H2O]+ 259.11164 150.7
[M+HCOO]- 321.11258 171.5
[M+CH3COO]- 335.12823 196.9
[M+Na-2H]- 297.08905 160.9
[M]+ 276.11383 169.1
[M]- 276.11493 169.1
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

patents stripe