CID 32474

Brn 0959338

Structural Information

Molecular Formula
C8H9NO3S2
SMILES
C1CSC2=C(S1)C(=O)N(C2=O)CCO
InChI
InChI=1S/C8H9NO3S2/c10-2-1-9-7(11)5-6(8(9)12)14-4-3-13-5/h10H,1-4H2
InChIKey
KLZAKDGHSDAAEA-UHFFFAOYSA-N
Compound name
6-(2-hydroxyethyl)-2,3-dihydro-[1,4]dithiino[2,3-c]pyrrole-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.00238 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.00966 145.3
[M+Na]+ 253.99160 154.3
[M-H]- 229.99510 147.0
[M+NH4]+ 249.03620 165.2
[M+K]+ 269.96554 150.2
[M+H-H2O]+ 213.99964 141.1
[M+HCOO]- 276.00058 154.1
[M+CH3COO]- 290.01623 183.4
[M+Na-2H]- 251.97705 144.9
[M]+ 231.00183 146.7
[M]- 231.00293 146.7
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.