CID 36825

34419-07-3

Structural Information

Molecular Formula
C9H9NO2S2
SMILES
C=CCN1C(=O)C2=C(C1=O)SCCS2
InChI
InChI=1S/C9H9NO2S2/c1-2-3-10-8(11)6-7(9(10)12)14-5-4-13-6/h2H,1,3-5H2
InChIKey
MXKYDNZMSFEPBG-UHFFFAOYSA-N
Compound name
6-prop-2-enyl-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

227.00748 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.01476 145.8
[M+Na]+ 249.99670 155.4
[M-H]- 226.00020 148.8
[M+NH4]+ 245.04130 166.6
[M+K]+ 265.97064 150.9
[M+H-H2O]+ 210.00474 141.2
[M+HCOO]- 272.00568 155.7
[M+CH3COO]- 286.02133 186.0
[M+Na-2H]- 247.98215 144.9
[M]+ 227.00693 147.2
[M]- 227.00803 147.2
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.