CID 122156795

Methyl 5-sulfamoylfuran-3-carboxylate

Structural Information

Molecular Formula
C6H7NO5S
SMILES
COC(=O)C1=COC(=C1)S(=O)(=O)N
InChI
InChI=1S/C6H7NO5S/c1-11-6(8)4-2-5(12-3-4)13(7,9)10/h2-3H,1H3,(H2,7,9,10)
InChIKey
GSCCGAVXBUXYOM-UHFFFAOYSA-N
Compound name
methyl 5-sulfamoylfuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

205.00449 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.01177 138.8
[M+Na]+ 227.99371 148.0
[M-H]- 203.99721 143.6
[M+NH4]+ 223.03831 158.2
[M+K]+ 243.96765 148.1
[M+H-H2O]+ 188.00175 133.9
[M+HCOO]- 250.00269 158.4
[M+CH3COO]- 264.01834 179.9
[M+Na-2H]- 225.97916 142.7
[M]+ 205.00394 143.5
[M]- 205.00504 143.5
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

patents stripe