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

36
Patents

174.00992 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.01720 131.4
[M+Na]+ 196.99914 140.8
[M-H]- 173.00264 132.7
[M+NH4]+ 192.04374 149.6
[M+K]+ 212.97308 137.8
[M+H-H2O]+ 157.00718 125.6
[M+HCOO]- 219.00812 148.9
[M+CH3COO]- 233.02377 173.4
[M+Na-2H]- 194.98459 137.2
[M]+ 174.00937 131.4
[M]- 174.01047 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