CID 121553170

1909309-07-4

Structural Information

Molecular Formula
C9H17NO4S
SMILES
CC(C)(C)OC(=O)C1CS(=O)(=O)CCN1
InChI
InChI=1S/C9H17NO4S/c1-9(2,3)14-8(11)7-6-15(12,13)5-4-10-7/h7,10H,4-6H2,1-3H3
InChIKey
KAFOOPGMLJZHTM-UHFFFAOYSA-N
Compound name
tert-butyl 1,1-dioxo-1,4-thiazinane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.08783 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.09511 149.9
[M+Na]+ 258.07705 156.1
[M-H]- 234.08055 150.3
[M+NH4]+ 253.12165 168.0
[M+K]+ 274.05099 154.5
[M+H-H2O]+ 218.08509 145.3
[M+HCOO]- 280.08603 160.9
[M+CH3COO]- 294.10168 182.6
[M+Na-2H]- 256.06250 152.5
[M]+ 235.08728 149.6
[M]- 235.08838 149.6
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.