CID 71757096

5-(methylsulfamoyl)furan-3-carboxylic acid

Structural Information

Molecular Formula
C6H7NO5S
SMILES
CNS(=O)(=O)C1=CC(=CO1)C(=O)O
InChI
InChI=1S/C6H7NO5S/c1-7-13(10,11)5-2-4(3-12-5)6(8)9/h2-3,7H,1H3,(H,8,9)
InChIKey
KXSQYNZCXFSVNU-UHFFFAOYSA-N
Compound name
5-(methylsulfamoyl)furan-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.00449 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.01177 138.7
[M+Na]+ 227.99371 147.3
[M-H]- 203.99721 142.5
[M+NH4]+ 223.03831 157.5
[M+K]+ 243.96765 146.8
[M+H-H2O]+ 188.00175 133.9
[M+HCOO]- 250.00269 157.3
[M+CH3COO]- 264.01834 178.8
[M+Na-2H]- 225.97916 143.2
[M]+ 205.00394 142.5
[M]- 205.00504 142.5
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.