CID 82903570

1-(2-hydroxyethyl)-2-oxo-1,2-dihydropyridine-4-carboxylic acid

Structural Information

Molecular Formula
C8H9NO4
SMILES
C1=CN(C(=O)C=C1C(=O)O)CCO
InChI
InChI=1S/C8H9NO4/c10-4-3-9-2-1-6(8(12)13)5-7(9)11/h1-2,5,10H,3-4H2,(H,12,13)
InChIKey
BCFBXCCXBSELPK-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethyl)-2-oxopyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.05316 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.060436 134.3
[M+Na]+ 206.042378 143.3
[M-H]- 182.045884 134.6
[M+NH4]+ 201.086983 151.7
[M+K]+ 222.016318 141.1
[M+H-H2O]+ 166.050420 128.4
[M+HCOO]- 228.051361 155.2
[M+CH3COO]- 242.067011 175.6
[M+Na-2H]- 204.027826 139.5
[M]+ 183.05261142 135.1
[M]- 183.05370858 135.1
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

No patent data available for this compound.