CID 11243499

479687-23-5

Structural Information

Molecular Formula
C13H17NO5S
SMILES
CC(C)(C)OC(=O)N1[C@H](COS1(=O)=O)C2=CC=CC=C2
InChI
InChI=1S/C13H17NO5S/c1-13(2,3)19-12(15)14-11(9-18-20(14,16)17)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3/t11-/m1/s1
InChIKey
MRPGVSFPIVVEKD-LLVKDONJSA-N
Compound name
tert-butyl (4S)-2,2-dioxo-4-phenyloxathiazolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

299.08273 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.09001 164.3
[M+Na]+ 322.07195 172.9
[M-H]- 298.07545 171.0
[M+NH4]+ 317.11655 181.4
[M+K]+ 338.04589 172.4
[M+H-H2O]+ 282.07999 159.2
[M+HCOO]- 344.08093 179.0
[M+CH3COO]- 358.09658 195.2
[M+Na-2H]- 320.05740 167.1
[M]+ 299.08218 169.5
[M]- 299.08328 169.5
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

patents stripe