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

2592
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.