CID 54676837

Ethyl 4,6-dihydroxynicotinate

Structural Information

Molecular Formula
C8H9NO4
SMILES
CCOC(=O)C1=CNC(=O)C=C1O
InChI
InChI=1S/C8H9NO4/c1-2-13-8(12)5-4-9-7(11)3-6(5)10/h3-4H,2H2,1H3,(H2,9,10,11)
InChIKey
QDHHLXABEXNRJX-UHFFFAOYSA-N
Compound name
ethyl 4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

190
Patents

183.05316 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.06044 134.6
[M+Na]+ 206.04238 143.6
[M-H]- 182.04588 134.9
[M+NH4]+ 201.08698 152.1
[M+K]+ 222.01632 141.4
[M+H-H2O]+ 166.05042 128.7
[M+HCOO]- 228.05136 155.5
[M+CH3COO]- 242.06701 174.9
[M+Na-2H]- 204.02783 139.8
[M]+ 183.05261 135.3
[M]- 183.05371 135.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe