CID 95464

4872-28-0

Structural Information

Molecular Formula
C6H7NO4S
SMILES
C1=CN=CC=C1C(O)S(=O)(=O)O
InChI
InChI=1S/C6H7NO4S/c8-6(12(9,10)11)5-1-3-7-4-2-5/h1-4,6,8H,(H,9,10,11)
InChIKey
LQGYKYJLWSWUAR-UHFFFAOYSA-N
Compound name
hydroxy(pyridin-4-yl)methanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

189.00958 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.01686 136.3
[M+Na]+ 211.99880 146.3
[M+NH4]+ 207.04340 142.5
[M+K]+ 227.97274 141.7
[M-H]- 188.00230 134.6
[M+Na-2H]- 209.98425 140.6
[M]+ 189.00903 137.4
[M]- 189.01013 137.4
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

patents stripe