CID 65382426

Methyl 4-sulfamoyl-1h-pyrrole-2-carboxylate

Structural Information

Molecular Formula
C6H8N2O4S
SMILES
COC(=O)C1=CC(=CN1)S(=O)(=O)N
InChI
InChI=1S/C6H8N2O4S/c1-12-6(9)5-2-4(3-8-5)13(7,10)11/h2-3,8H,1H3,(H2,7,10,11)
InChIKey
QRUUSDOCTACVLM-UHFFFAOYSA-N
Compound name
methyl 4-sulfamoyl-1H-pyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.02048 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.027756 140.7
[M+Na]+ 227.009698 149.5
[M-H]- 203.013204 142.0
[M+NH4]+ 222.054303 159.4
[M+K]+ 242.983638 147.2
[M+H-H2O]+ 187.017740 135.2
[M+HCOO]- 249.018681 158.0
[M+CH3COO]- 263.034331 177.9
[M+Na-2H]- 224.995146 142.9
[M]+ 204.01993142 142.0
[M]- 204.02102858 142.0
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.