CID 137963879

2228122-96-9

Structural Information

Molecular Formula
C10H17NO6S
SMILES
CC(C)(C)OC(=O)N1CS(=O)(=O)CCC1C(=O)O
InChI
InChI=1S/C10H17NO6S/c1-10(2,3)17-9(14)11-6-18(15,16)5-4-7(11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)
InChIKey
TWKGPTYNFFKJPT-UHFFFAOYSA-N
Compound name
3-[(2-methylpropan-2-yl)oxycarbonyl]-1,1-dioxo-1,3-thiazinane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.07767 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.08495 160.5
[M+Na]+ 302.06689 167.0
[M+NH4]+ 297.11149 165.8
[M+K]+ 318.04083 162.4
[M-H]- 278.07039 156.8
[M+Na-2H]- 300.05234 162.0
[M]+ 279.07712 160.5
[M]- 279.07822 160.5
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.