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]+ 361.112926 176.8
[M+Na]+ 383.094868 182.7
[M-H]- 359.098374 177.0
[M+NH4]+ 378.139473 184.4
[M+K]+ 399.068808 182.7
[M+H-H2O]+ 343.102910 170.0
[M+HCOO]- 405.103851 187.2
[M+CH3COO]- 419.119501 206.8
[M+Na-2H]- 381.080316 173.9
[M]+ 360.10510142 178.3
[M]- 360.10619858 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.