CID 58795627

6-methanesulfonamidopyridine-3-carboxylic acid

Structural Information

Molecular Formula
C7H8N2O4S
SMILES
CS(=O)(=O)NC1=NC=C(C=C1)C(=O)O
InChI
InChI=1S/C7H8N2O4S/c1-14(12,13)9-6-3-2-5(4-8-6)7(10)11/h2-4H,1H3,(H,8,9)(H,10,11)
InChIKey
NCLLBFUFTPPKAP-UHFFFAOYSA-N
Compound name
6-(methanesulfonamido)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

216.02048 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.02776 143.5
[M+Na]+ 239.00970 152.9
[M+NH4]+ 234.05430 149.0
[M+K]+ 254.98364 148.3
[M-H]- 215.01320 142.3
[M+Na-2H]- 236.99515 147.6
[M]+ 216.01993 144.5
[M]- 216.02103 144.5
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