CID 46218532

913979-52-9

Structural Information

Molecular Formula
C9H15NO7S
SMILES
CC(C)(C)OC(=O)N1[C@@H](COS1(=O)=O)C(=O)OC
InChI
InChI=1S/C9H15NO7S/c1-9(2,3)17-8(12)10-6(7(11)15-4)5-16-18(10,13)14/h6H,5H2,1-4H3/t6-/m0/s1
InChIKey
HJGPFSSCXYNPJJ-LURJTMIESA-N
Compound name
3-O-tert-butyl 4-O-methyl (4S)-2,2-dioxooxathiazolidine-3,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

281.05692 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.06420 160.6
[M+Na]+ 304.04614 166.7
[M+NH4]+ 299.09074 165.4
[M+K]+ 320.02008 164.8
[M-H]- 280.04964 157.5
[M+Na-2H]- 302.03159 161.0
[M]+ 281.05637 160.7
[M]- 281.05747 160.7
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