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]+ 205.02776 140.7
[M+Na]+ 227.00970 149.5
[M-H]- 203.01320 142.0
[M+NH4]+ 222.05430 159.4
[M+K]+ 242.98364 147.2
[M+H-H2O]+ 187.01774 135.2
[M+HCOO]- 249.01868 158.0
[M+CH3COO]- 263.03433 177.9
[M+Na-2H]- 224.99515 142.9
[M]+ 204.01993 142.0
[M]- 204.02103 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.