CID 2743018

1-methyl-5-sulphamoyl-1h-pyrrole-2-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

204.02048 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.027756 140.0
[M+Na]+ 227.009698 149.5
[M-H]- 203.013204 141.6
[M+NH4]+ 222.054303 158.8
[M+K]+ 242.983638 147.2
[M+H-H2O]+ 187.017740 134.7
[M+HCOO]- 249.018681 157.2
[M+CH3COO]- 263.034331 179.8
[M+Na-2H]- 224.995146 141.6
[M]+ 204.01993142 141.7
[M]- 204.02102858 141.7
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