CID 5278288

850544-12-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
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 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

literature stripe

Patent stripe

patents stripe