CID 14034252

[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate

Structural Information

Molecular Formula
C13H16O10
SMILES
C1=C(C=C(C(=C1O)O)O)C(=O)OC2C(C(C(OC2O)CO)O)O
InChI
InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(13(21)22-7)23-12(20)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-19,21H,3H2
InChIKey
DZAITDYEHYKPKZ-UHFFFAOYSA-N
Compound name
[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

332.07434 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.08162 170.8
[M+Na]+ 355.06356 177.9
[M+NH4]+ 350.10816 172.5
[M+K]+ 371.03750 179.2
[M-H]- 331.06706 168.9
[M+Na-2H]- 353.04901 168.8
[M]+ 332.07379 170.5
[M]- 332.07489 170.5
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