CID 94849

2-pyridinesulfonic acid

Structural Information

Molecular Formula
C5H5NO3S
SMILES
C1=CC=NC(=C1)S(=O)(=O)O
InChI
InChI=1S/C5H5NO3S/c7-10(8,9)5-3-1-2-4-6-5/h1-4H,(H,7,8,9)
InChIKey
KZVLNAGYSAKYMG-UHFFFAOYSA-N
Compound name
pyridine-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

2496
Patents

158.99901 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.00629 127.4
[M+Na]+ 181.98823 137.0
[M-H]- 157.99173 129.1
[M+NH4]+ 177.03283 146.7
[M+K]+ 197.96217 134.6
[M+H-H2O]+ 141.99627 122.0
[M+HCOO]- 203.99721 144.7
[M+CH3COO]- 218.01286 167.8
[M+Na-2H]- 179.97368 134.4
[M]+ 158.99846 129.0
[M]- 158.99956 129.0
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