CID 54692116

21472-88-8

Structural Information

Molecular Formula
C8H11NO4
SMILES
CCOC(=O)C1=C(C(=O)NCC1)O
InChI
InChI=1S/C8H11NO4/c1-2-13-8(12)5-3-4-9-7(11)6(5)10/h10H,2-4H2,1H3,(H,9,11)
InChIKey
ZEAWXPIFCQTOLY-UHFFFAOYSA-N
Compound name
ethyl 5-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

185.0688 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.07608 137.7
[M+Na]+ 208.05802 144.7
[M-H]- 184.06152 137.2
[M+NH4]+ 203.10262 154.8
[M+K]+ 224.03196 142.9
[M+H-H2O]+ 168.06606 131.8
[M+HCOO]- 230.06700 155.6
[M+CH3COO]- 244.08265 175.6
[M+Na-2H]- 206.04347 140.9
[M]+ 185.06825 135.6
[M]- 185.06935 135.6
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