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

9
Patents

190.00482 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.01210 136.4
[M+Na]+ 212.99404 145.1
[M-H]- 188.99754 136.4
[M+NH4]+ 208.03864 154.8
[M+K]+ 228.96798 142.1
[M+H-H2O]+ 173.00208 131.3
[M+HCOO]- 235.00302 152.5
[M+CH3COO]- 249.01867 173.2
[M+Na-2H]- 210.97949 138.7
[M]+ 190.00427 135.5
[M]- 190.00537 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