CID 83670204

1-methyl-5-sulfamoyl-1h-pyrrole-3-carboxylic acid

Structural Information

Molecular Formula
C6H8N2O4S
SMILES
CN1C=C(C=C1S(=O)(=O)N)C(=O)O
InChI
InChI=1S/C6H8N2O4S/c1-8-3-4(6(9)10)2-5(8)13(7,11)12/h2-3H,1H3,(H,9,10)(H2,7,11,12)
InChIKey
ZAAQRNWPWFNWNY-UHFFFAOYSA-N
Compound name
1-methyl-5-sulfamoylpyrrole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.02048 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.02776 142.5
[M+Na]+ 227.00970 150.1
[M+NH4]+ 222.05430 147.6
[M+K]+ 242.98364 148.3
[M-H]- 203.01320 140.2
[M+Na-2H]- 224.99515 144.0
[M]+ 204.01993 142.8
[M]- 204.02103 142.8
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.