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

90
Patents

218.98376 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.99104 139.0
[M+Na]+ 241.97298 148.3
[M-H]- 217.97648 138.2
[M+NH4]+ 237.01758 154.2
[M+K]+ 257.94692 144.9
[M+H-H2O]+ 201.98102 133.8
[M+HCOO]- 263.98196 152.7
[M+CH3COO]- 277.99761 174.4
[M+Na-2H]- 239.95843 142.8
[M]+ 218.98321 140.2
[M]- 218.98431 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