CID 459098

68561-10-4

Structural Information

Molecular Formula
C5H7NO5S2
SMILES
C1C(=O)N(C(=S)O1)CCS(=O)(=O)O
InChI
InChI=1S/C5H7NO5S2/c7-4-3-11-5(12)6(4)1-2-13(8,9)10/h1-3H2,(H,8,9,10)
InChIKey
PPMCSZRGJHEBAY-UHFFFAOYSA-N
Compound name
2-(4-oxo-2-sulfanylidene-1,3-oxazolidin-3-yl)ethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

224.97656 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.98384 144.0
[M+Na]+ 247.96578 153.2
[M-H]- 223.96928 145.8
[M+NH4]+ 243.01038 161.3
[M+K]+ 263.93972 150.9
[M+H-H2O]+ 207.97382 139.8
[M+HCOO]- 269.97476 153.7
[M+CH3COO]- 283.99041 178.7
[M+Na-2H]- 245.95123 144.9
[M]+ 224.97601 147.1
[M]- 224.97711 147.1
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

patents stripe