CID 114958876

6-(sulfamoylamino)pyridine-2-carboxylic acid

Structural Information

Molecular Formula
C6H7N3O4S
SMILES
C1=CC(=NC(=C1)NS(=O)(=O)N)C(=O)O
InChI
InChI=1S/C6H7N3O4S/c7-14(12,13)9-5-3-1-2-4(8-5)6(10)11/h1-3H,(H,8,9)(H,10,11)(H2,7,12,13)
InChIKey
OAEDQMLMMPSUAR-UHFFFAOYSA-N
Compound name
6-(sulfamoylamino)pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

217.01573 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.02301 141.1
[M+Na]+ 240.00495 148.9
[M-H]- 216.00845 142.1
[M+NH4]+ 235.04955 156.8
[M+K]+ 255.97889 146.0
[M+H-H2O]+ 200.01299 134.6
[M+HCOO]- 262.01393 158.6
[M+CH3COO]- 276.02958 183.9
[M+Na-2H]- 237.99040 146.2
[M]+ 217.01518 140.8
[M]- 217.01628 140.8
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