CID 54676534

Ethyl 2,4-dihydroxy-6-methylnicotinate

Structural Information

Molecular Formula
C9H11NO4
SMILES
CCOC(=O)C1=C(C=C(NC1=O)C)O
InChI
InChI=1S/C9H11NO4/c1-3-14-9(13)7-6(11)4-5(2)10-8(7)12/h4H,3H2,1-2H3,(H2,10,11,12)
InChIKey
CMCZAWPDHHYFPU-UHFFFAOYSA-N
Compound name
ethyl 4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

94
Patents

197.0688 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.07608 138.6
[M+Na]+ 220.05802 148.1
[M-H]- 196.06152 139.1
[M+NH4]+ 215.10262 155.8
[M+K]+ 236.03196 145.8
[M+H-H2O]+ 180.06606 132.8
[M+HCOO]- 242.06700 159.1
[M+CH3COO]- 256.08265 179.2
[M+Na-2H]- 218.04347 142.6
[M]+ 197.06825 140.1
[M]- 197.06935 140.1
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