CID 102103425

1453315-64-4

Structural Information

Molecular Formula
C11H20N2O4S
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)CC2N
InChI
InChI=1S/C11H20N2O4S/c1-10(2,3)17-9(14)13-5-11(6-13)7-18(15,16)4-8(11)12/h8H,4-7,12H2,1-3H3
InChIKey
HJKXBWRMXXDERA-UHFFFAOYSA-N
Compound name
tert-butyl 8-amino-6,6-dioxo-6lambda6-thia-2-azaspiro[3.4]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.11438 Da
Monoisotopic Mass

-0.7
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.