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]+ 206.011766 138.8
[M+Na]+ 227.993708 148.0
[M-H]- 203.997214 143.6
[M+NH4]+ 223.038313 158.2
[M+K]+ 243.967648 148.1
[M+H-H2O]+ 188.001750 133.9
[M+HCOO]- 250.002691 158.4
[M+CH3COO]- 264.018341 179.9
[M+Na-2H]- 225.979156 142.7
[M]+ 205.00394142 143.5
[M]- 205.00503858 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