CID 53497342

1320326-72-4

Structural Information

Molecular Formula
C11H20N2O4S
SMILES
CC(C)(C)OC(=O)N[C@@H]1CS(=O)(=O)[C@@H]2[C@H]1CNC2
InChI
InChI=1S/C11H20N2O4S/c1-11(2,3)17-10(14)13-8-6-18(15,16)9-5-12-4-7(8)9/h7-9,12H,4-6H2,1-3H3,(H,13,14)/t7-,8+,9-/m0/s1
InChIKey
HPQSKLZMAPCWBI-YIZRAAEISA-N
Compound name
tert-butyl N-[(3S,3aS,6aR)-1,1-dioxo-3,3a,4,5,6,6a-hexahydro-2H-thieno[2,3-c]pyrrol-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.11438 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.12166 162.7
[M+Na]+ 299.10360 166.9
[M+NH4]+ 294.14820 169.5
[M+K]+ 315.07754 164.6
[M-H]- 275.10710 160.1
[M+Na-2H]- 297.08905 162.9
[M]+ 276.11383 162.5
[M]- 276.11493 162.5
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

No patent data available for this compound.