CID 1215346

1903872-85-4

Structural Information

Molecular Formula
C6H9NO3S
SMILES
C1[C@H]2CS(=O)(=O)C[C@H]2NC1=O
InChI
InChI=1S/C6H9NO3S/c8-6-1-4-2-11(9,10)3-5(4)7-6/h4-5H,1-3H2,(H,7,8)/t4-,5+/m0/s1
InChIKey
NNWORFCIWXFPGX-CRCLSJGQSA-N
Compound name
(3aR,6aS)-5,5-dioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.03032 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.03760 136.9
[M+Na]+ 198.01954 144.7
[M+NH4]+ 193.06414 146.0
[M+K]+ 213.99348 140.3
[M-H]- 174.02304 135.7
[M+Na-2H]- 196.00499 138.8
[M]+ 175.02977 137.8
[M]- 175.03087 137.8
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.