CID 95465

2-pyridylhydroxymethanesulfonic acid

Structural Information

Molecular Formula
C6H7NO4S
SMILES
C1=CC=NC(=C1)C(O)S(=O)(=O)O
InChI
InChI=1S/C6H7NO4S/c8-6(12(9,10)11)5-3-1-2-4-7-5/h1-4,6,8H,(H,9,10,11)
InChIKey
NXUYDMFMNBZBMY-UHFFFAOYSA-N
Compound name
hydroxy(pyridin-2-yl)methanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

201
Patents

189.00958 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.016856 135.2
[M+Na]+ 211.998798 143.4
[M-H]- 188.002304 135.3
[M+NH4]+ 207.043403 152.3
[M+K]+ 227.972738 140.9
[M+H-H2O]+ 172.006840 129.7
[M+HCOO]- 234.007781 149.9
[M+CH3COO]- 248.023431 171.3
[M+Na-2H]- 209.984246 140.4
[M]+ 189.00903142 136.1
[M]- 189.01012858 136.1
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