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 174.1
[M+Na]+ 367.09994 180.0
[M-H]- 343.10344 175.4
[M+NH4]+ 362.14454 183.0
[M+K]+ 383.07388 179.7
[M+H-H2O]+ 327.10798 167.3
[M+HCOO]- 389.10892 186.0
[M+CH3COO]- 403.12457 204.4
[M+Na-2H]- 365.08539 172.2
[M]+ 344.11017 175.5
[M]- 344.11127 175.5
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

No patent data available for this compound.