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]+ 236.095106 149.9
[M+Na]+ 258.077048 156.1
[M-H]- 234.080554 150.3
[M+NH4]+ 253.121653 168.0
[M+K]+ 274.050988 154.5
[M+H-H2O]+ 218.085090 145.3
[M+HCOO]- 280.086031 160.9
[M+CH3COO]- 294.101681 182.6
[M+Na-2H]- 256.062496 152.5
[M]+ 235.08728142 149.6
[M]- 235.08837858 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.