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

64
Patents

299.08273 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.090006 164.3
[M+Na]+ 322.071948 172.9
[M-H]- 298.075454 171.0
[M+NH4]+ 317.116553 181.4
[M+K]+ 338.045888 172.4
[M+H-H2O]+ 282.079990 159.2
[M+HCOO]- 344.080931 179.0
[M+CH3COO]- 358.096581 195.2
[M+Na-2H]- 320.057396 167.1
[M]+ 299.08218142 169.5
[M]- 299.08327858 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