CID 131751630

Chebi:140767

Structural Information

Molecular Formula
C15H20O9
SMILES
CC(=O)C1=C(C=C(C=C1OC2C(C(C(C(O2)CO)O)O)O)O)OC
InChI
InChI=1S/C15H20O9/c1-6(17)11-8(22-2)3-7(18)4-9(11)23-15-14(21)13(20)12(19)10(5-16)24-15/h3-4,10,12-16,18-21H,5H2,1-2H3
InChIKey
YIVAJDUKDDJWPS-UHFFFAOYSA-N
Compound name
1-[4-hydroxy-2-methoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.11072 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.11800 175.9
[M+Na]+ 367.09994 184.2
[M+NH4]+ 362.14454 178.5
[M+K]+ 383.07388 183.8
[M-H]- 343.10344 175.4
[M+Na-2H]- 365.08539 175.0
[M]+ 344.11017 176.3
[M]- 344.11127 176.3
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

No patent data available for this compound.