CID 485522

Amaronol b

Structural Information

Molecular Formula
C16H14O8
SMILES
COC1=C(C=C(C=C1O)CC2(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
InChI
InChI=1S/C16H14O8/c1-23-14-10(19)2-7(3-11(14)20)6-16(22)15(21)13-9(18)4-8(17)5-12(13)24-16/h2-5,17-20,22H,6H2,1H3
InChIKey
YCDTYNVODFTPCZ-UHFFFAOYSA-N
Compound name
2-[(3,5-dihydroxy-4-methoxyphenyl)methyl]-2,4,6-trihydroxy-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

334.06888 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.07616 169.8
[M+Na]+ 357.05810 179.9
[M-H]- 333.06160 173.5
[M+NH4]+ 352.10270 184.2
[M+K]+ 373.03204 177.5
[M+H-H2O]+ 317.06614 165.0
[M+HCOO]- 379.06708 185.4
[M+CH3COO]- 393.08273 200.2
[M+Na-2H]- 355.04355 172.6
[M]+ 334.06833 173.7
[M]- 334.06943 173.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.