CID 10176806

Ethyl 5-sulfamoylfuran-3-carboxylate

Structural Information

Molecular Formula
C7H9NO5S
SMILES
CCOC(=O)C1=COC(=C1)S(=O)(=O)N
InChI
InChI=1S/C7H9NO5S/c1-2-12-7(9)5-3-6(13-4-5)14(8,10)11/h3-4H,2H2,1H3,(H2,8,10,11)
InChIKey
GBHAFGOYZSOQFH-UHFFFAOYSA-N
Compound name
ethyl 5-sulfamoylfuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

219.02014 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.02742 145.9
[M+Na]+ 242.00936 153.6
[M+NH4]+ 237.05396 151.4
[M+K]+ 257.98330 151.7
[M-H]- 218.01286 145.7
[M+Na-2H]- 239.99481 147.6
[M]+ 219.01959 146.9
[M]- 219.02069 146.9
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