CID 2052708

4-methanesulfonamidopyridine-2-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.02048 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.027756 141.8
[M+Na]+ 239.009698 150.1
[M-H]- 215.013204 143.3
[M+NH4]+ 234.054303 158.2
[M+K]+ 254.983638 147.5
[M+H-H2O]+ 199.017740 135.6
[M+HCOO]- 261.018681 158.6
[M+CH3COO]- 275.034331 182.2
[M+Na-2H]- 236.995146 146.8
[M]+ 216.01993142 143.7
[M]- 216.02102858 143.7
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.