CID 131751774

Chebi:175617

Structural Information

Molecular Formula
C15H20O10
SMILES
CC(=O)C1=C(C=C(C(=C1O)OC2C(C(C(C(O2)CO)O)O)O)O)OC
InChI
InChI=1S/C15H20O10/c1-5(17)9-7(23-2)3-6(18)14(11(9)20)25-15-13(22)12(21)10(19)8(4-16)24-15/h3,8,10,12-13,15-16,18-22H,4H2,1-2H3
InChIKey
OCIAHNACQOUFBB-UHFFFAOYSA-N
Compound name
1-[2,4-dihydroxy-6-methoxy-3-[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

360.10565 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.11293 176.8
[M+Na]+ 383.09487 182.7
[M-H]- 359.09837 177.0
[M+NH4]+ 378.13947 184.4
[M+K]+ 399.06881 182.7
[M+H-H2O]+ 343.10291 170.0
[M+HCOO]- 405.10385 187.2
[M+CH3COO]- 419.11950 206.8
[M+Na-2H]- 381.08032 173.9
[M]+ 360.10510 178.3
[M]- 360.10620 178.3
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.