CID 71757246

Hexahydro-2h-cyclopenta[b][1,4]dithiin-5-one

Structural Information

Molecular Formula
C7H10OS2
SMILES
C1CC(=O)C2C1SCCS2
InChI
InChI=1S/C7H10OS2/c8-5-1-2-6-7(5)10-4-3-9-6/h6-7H,1-4H2
InChIKey
RTWLIAGBLSHCBR-UHFFFAOYSA-N
Compound name
2,3,4a,6,7,7a-hexahydrocyclopenta[b][1,4]dithiin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.0173 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.02458 133.5
[M+Na]+ 197.00652 141.0
[M-H]- 173.01002 137.3
[M+NH4]+ 192.05112 157.3
[M+K]+ 212.98046 138.1
[M+H-H2O]+ 157.01456 129.6
[M+HCOO]- 219.01550 143.4
[M+CH3COO]- 233.03115 146.2
[M+Na-2H]- 194.99197 133.8
[M]+ 174.01675 131.6
[M]- 174.01785 131.6
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.