CID 28740523

4-sulfamoyl-1h-pyrrole-2-carboxylic acid

Structural Information

Molecular Formula

C₅H₆N₂O₄S

SMILES

C1=C(NC=C1S(=O)(=O)N)C(=O)O

InChI

InChI=1S/C5H6N2O4S/c6-12(10,11)3-1-4(5(8)9)7-2-3/h1-2,7H,(H,8,9)(H2,6,10,11)

InChIKey

DSRIAQJIFHUAEB-UHFFFAOYSA-N

Compound name

4-sulfamoyl-1H-pyrrole-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 190.00482 Da
Monoisotopic Mass: -0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	191.01210	137.9
[M+Na]+	212.99404	144.7
[M+NH4]+	208.03864	142.8
[M+K]+	228.96798	143.4
[M-H]-	188.99754	135.0
[M+Na-2H]-	210.97949	139.3
[M]+	190.00427	137.9
[M]-	190.00537	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe