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

74
Patents

204.02048 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.02776 140.0
[M+Na]+ 227.00970 149.5
[M-H]- 203.01320 141.6
[M+NH4]+ 222.05430 158.8
[M+K]+ 242.98364 147.2
[M+H-H2O]+ 187.01774 134.7
[M+HCOO]- 249.01868 157.2
[M+CH3COO]- 263.03433 179.8
[M+Na-2H]- 224.99515 141.6
[M]+ 204.01993 141.7
[M]- 204.02103 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