CID 2762922

4-aminopyridine-3-sulfonic acid

Structural Information

Molecular Formula
C5H6N2O3S
SMILES
C1=CN=CC(=C1N)S(=O)(=O)O
InChI
InChI=1S/C5H6N2O3S/c6-4-1-2-7-3-5(4)11(8,9)10/h1-3H,(H2,6,7)(H,8,9,10)
InChIKey
VOMYEVOVADPHCK-UHFFFAOYSA-N
Compound name
4-aminopyridine-3-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

37
Patents

174.00992 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.017196 131.4
[M+Na]+ 196.999138 140.8
[M-H]- 173.002644 132.7
[M+NH4]+ 192.043743 149.6
[M+K]+ 212.973078 137.8
[M+H-H2O]+ 157.007180 125.6
[M+HCOO]- 219.008121 148.9
[M+CH3COO]- 233.023771 173.4
[M+Na-2H]- 194.984586 137.2
[M]+ 174.00937142 131.4
[M]- 174.01046858 131.4
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