CID 54744025

3-hydroxy-2-oxo-2h-pyran-6-carboxylic acid

Structural Information

Molecular Formula
C6H4O5
SMILES
C1=C(C(=O)OC(=C1)C(=O)O)O
InChI
InChI=1S/C6H4O5/c7-3-1-2-4(5(8)9)11-6(3)10/h1-2,7H,(H,8,9)
InChIKey
FRBVENQEOYXRBR-UHFFFAOYSA-N
Compound name
5-hydroxy-6-oxopyran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

156.00587 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.01315 123.2
[M+Na]+ 178.99509 133.0
[M-H]- 154.99859 126.0
[M+NH4]+ 174.03969 141.7
[M+K]+ 194.96903 133.0
[M+H-H2O]+ 139.00313 118.3
[M+HCOO]- 201.00407 145.4
[M+CH3COO]- 215.01972 169.1
[M+Na-2H]- 176.98054 130.5
[M]+ 156.00532 125.0
[M]- 156.00642 125.0
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