CID 13356232

1903872-85-4

Structural Information

Molecular Formula
C6H9NO3S
SMILES
C1C2CS(=O)(=O)CC2NC1=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)
InChIKey
NNWORFCIWXFPGX-UHFFFAOYSA-N
Compound name
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]+ 176.037596 134.0
[M+Na]+ 198.019538 144.2
[M-H]- 174.023044 136.5
[M+NH4]+ 193.064143 159.5
[M+K]+ 213.993478 141.8
[M+H-H2O]+ 158.027580 130.9
[M+HCOO]- 220.028521 149.9
[M+CH3COO]- 234.044171 170.7
[M+Na-2H]- 196.004986 135.7
[M]+ 175.02977142 133.7
[M]- 175.03086858 133.7
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

No patent data available for this compound.