CID 124249469

1935910-28-3

Structural Information

Molecular Formula
C11H20N2O4S
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)CCN2
InChI
InChI=1S/C11H20N2O4S/c1-10(2,3)17-9(14)13-6-11(7-13)8-18(15,16)5-4-12-11/h12H,4-8H2,1-3H3
InChIKey
XFEIDNKZGSDCEG-UHFFFAOYSA-N
Compound name
tert-butyl 8,8-dioxo-8lambda6-thia-2,5-diazaspiro[3.5]nonane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.11438 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.12166 159.8
[M+Na]+ 299.10360 163.9
[M-H]- 275.10710 160.3
[M+NH4]+ 294.14820 170.4
[M+K]+ 315.07754 165.3
[M+H-H2O]+ 259.11164 149.7
[M+HCOO]- 321.11258 167.0
[M+CH3COO]- 335.12823 192.2
[M+Na-2H]- 297.08905 162.9
[M]+ 276.11383 167.4
[M]- 276.11493 167.4
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.