CID 21718668

3-(methylsulfanyl)-2,5-dihydrofuran-2,5-dione

Structural Information

Molecular Formula
C5H4O3S
SMILES
CSC1=CC(=O)OC1=O
InChI
InChI=1S/C5H4O3S/c1-9-3-2-4(6)8-5(3)7/h2H,1H3
InChIKey
ZXSUNPYBGKFGSY-UHFFFAOYSA-N
Compound name
3-methylsulfanylfuran-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.98811 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.99539 123.2
[M+Na]+ 166.97733 133.9
[M-H]- 142.98083 128.7
[M+NH4]+ 162.02193 146.2
[M+K]+ 182.95127 133.7
[M+H-H2O]+ 126.98537 119.2
[M+HCOO]- 188.98631 143.3
[M+CH3COO]- 203.00196 170.1
[M+Na-2H]- 164.96278 126.6
[M]+ 143.98756 127.5
[M]- 143.98866 127.5
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.