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

138
Patents

185.0688 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.076076 137.7
[M+Na]+ 208.058018 144.7
[M-H]- 184.061524 137.2
[M+NH4]+ 203.102623 154.8
[M+K]+ 224.031958 142.9
[M+H-H2O]+ 168.066060 131.8
[M+HCOO]- 230.067001 155.6
[M+CH3COO]- 244.082651 175.6
[M+Na-2H]- 206.043466 140.9
[M]+ 185.06825142 135.6
[M]- 185.06934858 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