CID 136589251

2174001-37-5

Structural Information

Molecular Formula
C12H22N2O4S
SMILES
CC(C)(C)OC(=O)NC[C@]12CNC[C@H]1CS(=O)(=O)C2
InChI
InChI=1S/C12H22N2O4S/c1-11(2,3)18-10(15)14-7-12-6-13-4-9(12)5-19(16,17)8-12/h9,13H,4-8H2,1-3H3,(H,14,15)/t9-,12-/m0/s1
InChIKey
POCMPGAXDAQJQV-CABZTGNLSA-N
Compound name
tert-butyl N-[[(3aR,6aS)-2,2-dioxo-1,3,4,5,6,6a-hexahydrothieno[3,4-c]pyrrol-3a-yl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.13004 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.13732 166.0
[M+Na]+ 313.11926 172.5
[M-H]- 289.12276 167.3
[M+NH4]+ 308.16386 188.3
[M+K]+ 329.09320 170.5
[M+H-H2O]+ 273.12730 163.3
[M+HCOO]- 335.12824 178.5
[M+CH3COO]- 349.14389 193.4
[M+Na-2H]- 311.10471 168.8
[M]+ 290.12949 167.3
[M]- 290.13059 167.3
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.