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 154.6
[M+Na]+ 304.04614 162.8
[M-H]- 280.04964 158.0
[M+NH4]+ 299.09074 172.3
[M+K]+ 320.02008 164.7
[M+H-H2O]+ 264.05418 151.1
[M+HCOO]- 326.05512 168.5
[M+CH3COO]- 340.07077 191.4
[M+Na-2H]- 302.03159 157.1
[M]+ 281.05637 162.3
[M]- 281.05747 162.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe