CID 3010943

3-hydroxy-4-oxo-4h-pyran-2-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

63
References

919
Patents

156.00587 Da
Monoisotopic Mass

0.3
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

literature stripe

Patent stripe

patents stripe