CID 214842

Brn 1078424

Structural Information

Molecular Formula
C12H15NO2S2
SMILES
C1CCC(CC1)N2C(=O)C3=C(C2=O)SCCS3
InChI
InChI=1S/C12H15NO2S2/c14-11-9-10(17-7-6-16-9)12(15)13(11)8-4-2-1-3-5-8/h8H,1-7H2
InChIKey
DKOPMZBTABRHGS-UHFFFAOYSA-N
Compound name
6-cyclohexyl-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

269.0544 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.06168 156.3
[M+Na]+ 292.04362 165.8
[M+NH4]+ 287.08822 165.9
[M+K]+ 308.01756 157.4
[M-H]- 268.04712 159.6
[M+Na-2H]- 290.02907 159.2
[M]+ 269.05385 159.3
[M]- 269.05495 159.3
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.