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

82
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 143.4
[M+Na]+ 242.00936 152.2
[M-H]- 218.01286 148.0
[M+NH4]+ 237.05396 162.2
[M+K]+ 257.98330 152.0
[M+H-H2O]+ 202.01740 138.3
[M+HCOO]- 264.01834 162.6
[M+CH3COO]- 278.03399 182.9
[M+Na-2H]- 239.99481 146.8
[M]+ 219.01959 148.4
[M]- 219.02069 148.4
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