CID 3010939

5-hydroxy-4-oxo-4h-pyran-2-carboxylic acid ethyl ester

Structural Information

Molecular Formula
C8H8O5
SMILES
CCOC(=O)C1=CC(=O)C(=CO1)O
InChI
InChI=1S/C8H8O5/c1-2-12-8(11)7-3-5(9)6(10)4-13-7/h3-4,10H,2H2,1H3
InChIKey
MBSTYAYGWHEPPL-UHFFFAOYSA-N
Compound name
ethyl 5-hydroxy-4-oxopyran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

184.03717 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.04445 132.0
[M+Na]+ 207.02639 141.5
[M-H]- 183.02989 135.9
[M+NH4]+ 202.07099 150.2
[M+K]+ 223.00033 141.9
[M+H-H2O]+ 167.03443 126.5
[M+HCOO]- 229.03537 155.0
[M+CH3COO]- 243.05102 176.9
[M+Na-2H]- 205.01184 138.8
[M]+ 184.03662 136.2
[M]- 184.03772 136.2
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

No patent data available for this compound.