CID 2763978

2-hydroxy-5-sulfopyridine-3-carboxylic acid

Structural Information

Molecular Formula
C6H5NO6S
SMILES
C1=C(C(=O)NC=C1S(=O)(=O)O)C(=O)O
InChI
InChI=1S/C6H5NO6S/c8-5-4(6(9)10)1-3(2-7-5)14(11,12)13/h1-2H,(H,7,8)(H,9,10)(H,11,12,13)
InChIKey
ZUWITCSMJULFEU-UHFFFAOYSA-N
Compound name
2-oxo-5-sulfo-1H-pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

218.98376 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.991036 139.0
[M+Na]+ 241.972978 148.3
[M-H]- 217.976484 138.2
[M+NH4]+ 237.017583 154.2
[M+K]+ 257.946918 144.9
[M+H-H2O]+ 201.981020 133.8
[M+HCOO]- 263.981961 152.7
[M+CH3COO]- 277.997611 174.4
[M+Na-2H]- 239.958426 142.8
[M]+ 218.98321142 140.2
[M]- 218.98430858 140.2
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