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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.012096 136.4
[M+Na]+ 212.994038 145.1
[M-H]- 188.997544 136.4
[M+NH4]+ 208.038643 154.8
[M+K]+ 228.967978 142.1
[M+H-H2O]+ 173.002080 131.3
[M+HCOO]- 235.003021 152.5
[M+CH3COO]- 249.018671 173.2
[M+Na-2H]- 210.979486 138.7
[M]+ 190.00427142 135.5
[M]- 190.00536858 135.5
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