CID 95464

Dtxsid401276133

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
2
Annotation Hits

0
References

20
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

No literature data available for this compound.

Patent stripe

patents stripe