CID 58516805

401564-36-1

Structural Information

Molecular Formula
C13H20N2O4S
SMILES
CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N2CCSC2
InChI
InChI=1S/C13H20N2O4S/c1-13(2,3)19-12(18)15-7-9(16)6-10(15)11(17)14-4-5-20-8-14/h10H,4-8H2,1-3H3/t10-/m0/s1
InChIKey
ULXKZRPRLJGLDM-JTQLQIEISA-N
Compound name
tert-butyl (2S)-4-oxo-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

300.11438 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.12166 171.4
[M+Na]+ 323.10360 176.6
[M+NH4]+ 318.14820 176.3
[M+K]+ 339.07754 176.1
[M-H]- 299.10710 169.7
[M+Na-2H]- 321.08905 171.2
[M]+ 300.11383 171.5
[M]- 300.11493 171.5
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