CID 131752686

Americanin d

Structural Information

Molecular Formula
C18H16O6
SMILES
C1=CC(=C(C=C1C2C(C3=C(O2)C(=CC(=C3)/C=C\C=O)O)CO)O)O
InChI
InChI=1S/C18H16O6/c19-5-1-2-10-6-12-13(9-20)17(24-18(12)16(23)7-10)11-3-4-14(21)15(22)8-11/h1-8,13,17,20-23H,9H2/b2-1-
InChIKey
CGSLPFBMGQUTKF-UPHRSURJSA-N
Compound name
(Z)-3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

328.0947 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.10198 173.4
[M+Na]+ 351.08392 182.2
[M-H]- 327.08742 177.5
[M+NH4]+ 346.12852 186.7
[M+K]+ 367.05786 177.5
[M+H-H2O]+ 311.09196 167.6
[M+HCOO]- 373.09290 190.0
[M+CH3COO]- 387.10855 200.9
[M+Na-2H]- 349.06937 174.3
[M]+ 328.09415 175.1
[M]- 328.09525 175.1
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

patents stripe