CID 3010946

722500-53-0

Structural Information

Molecular Formula
C9H10O6
SMILES
CCOCC1=CC(=O)C(=C(O1)C(=O)O)O
InChI
InChI=1S/C9H10O6/c1-2-14-4-5-3-6(10)7(11)8(15-5)9(12)13/h3,11H,2,4H2,1H3,(H,12,13)
InChIKey
BYYSOMNIVKVLDR-UHFFFAOYSA-N
Compound name
6-(ethoxymethyl)-3-hydroxy-4-oxopyran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

214.04774 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.05502 139.4
[M+Na]+ 237.03696 148.6
[M-H]- 213.04046 142.0
[M+NH4]+ 232.08156 155.7
[M+K]+ 253.01090 148.5
[M+H-H2O]+ 197.04500 133.8
[M+HCOO]- 259.04594 160.7
[M+CH3COO]- 273.06159 181.7
[M+Na-2H]- 235.02241 144.5
[M]+ 214.04719 144.1
[M]- 214.04829 144.1
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.