CID 57336589

5-sulfamoylpyridine-2-carboxylic acid

Structural Information

Molecular Formula
C6H6N2O4S
SMILES
C1=CC(=NC=C1S(=O)(=O)N)C(=O)O
InChI
InChI=1S/C6H6N2O4S/c7-13(11,12)4-1-2-5(6(9)10)8-3-4/h1-3H,(H,9,10)(H2,7,11,12)
InChIKey
QEYUHTHXJXUUNE-UHFFFAOYSA-N
Compound name
5-sulfamoylpyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

202.00482 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.012096 137.8
[M+Na]+ 224.994038 146.6
[M-H]- 200.997544 139.0
[M+NH4]+ 220.038643 154.6
[M+K]+ 240.967978 143.8
[M+H-H2O]+ 185.002080 131.8
[M+HCOO]- 247.003021 154.4
[M+CH3COO]- 261.018671 178.6
[M+Na-2H]- 222.979486 142.2
[M]+ 202.00427142 138.3
[M]- 202.00536858 138.3
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