CID 132327115

2138287-73-5

Structural Information

Molecular Formula
C10H17NO6S
SMILES
CC(C)(C)OC(=O)N1CCS(=O)(=O)C(C1)C(=O)O
InChI
InChI=1S/C10H17NO6S/c1-10(2,3)17-9(14)11-4-5-18(15,16)7(6-11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)
InChIKey
JSBDWNFERAZSIZ-UHFFFAOYSA-N
Compound name
4-[(2-methylpropan-2-yl)oxycarbonyl]-1,1-dioxo-1,4-thiazinane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

279.07767 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.08495 156.7
[M+Na]+ 302.06689 163.0
[M-H]- 278.07039 157.2
[M+NH4]+ 297.11149 173.0
[M+K]+ 318.04083 162.3
[M+H-H2O]+ 262.07493 152.4
[M+HCOO]- 324.07587 166.9
[M+CH3COO]- 338.09152 190.7
[M+Na-2H]- 300.05234 158.1
[M]+ 279.07712 158.8
[M]- 279.07822 158.8
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

patents stripe