CID 440647

2-hydroxy-2h-pyran-4,6-dicarboxylic acid

Structural Information

Molecular Formula
C7H6O6
SMILES
C1=C(C=C(OC1O)C(=O)O)C(=O)O
InChI
InChI=1S/C7H6O6/c8-5-2-3(6(9)10)1-4(13-5)7(11)12/h1-2,5,8H,(H,9,10)(H,11,12)
InChIKey
MLOJGZHQNWCBAC-UHFFFAOYSA-N
Compound name
2-hydroxy-2H-pyran-4,6-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

186.01643 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.02371 132.7
[M+Na]+ 209.00565 140.2
[M-H]- 185.00915 133.5
[M+NH4]+ 204.05025 148.9
[M+K]+ 224.97959 140.3
[M+H-H2O]+ 169.01369 127.6
[M+HCOO]- 231.01463 150.7
[M+CH3COO]- 245.03028 173.4
[M+Na-2H]- 206.99110 136.8
[M]+ 186.01588 132.3
[M]- 186.01698 132.3
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