CID 2052684

5-methanesulfonamidopyridine-3-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

216.02048 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.02776 141.8
[M+Na]+ 239.00970 150.1
[M-H]- 215.01320 143.3
[M+NH4]+ 234.05430 158.2
[M+K]+ 254.98364 147.5
[M+H-H2O]+ 199.01774 135.6
[M+HCOO]- 261.01868 158.6
[M+CH3COO]- 275.03433 182.2
[M+Na-2H]- 236.99515 146.8
[M]+ 216.01993 143.7
[M]- 216.02103 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

patents stripe