CID 57336588

4-(aminosulfonyl)-pyridine-2-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.00482 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.01210 139.2
[M+Na]+ 224.99404 148.5
[M+NH4]+ 220.03864 144.7
[M+K]+ 240.96798 144.4
[M-H]- 200.99754 137.8
[M+Na-2H]- 222.97949 143.0
[M]+ 202.00427 140.2
[M]- 202.00537 140.2
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

No patent data available for this compound.