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]+ 280.084946 156.7
[M+Na]+ 302.066888 163.0
[M-H]- 278.070394 157.2
[M+NH4]+ 297.111493 173.0
[M+K]+ 318.040828 162.3
[M+H-H2O]+ 262.074930 152.4
[M+HCOO]- 324.075871 166.9
[M+CH3COO]- 338.091521 190.7
[M+Na-2H]- 300.052336 158.1
[M]+ 279.07712142 158.8
[M]- 279.07821858 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

No patent data available for this compound.