CID 131751085

Americanin

Structural Information

Molecular Formula
C18H16O6
SMILES
C1=CC2=C(C=C1/C=C\C=O)OC(C(O2)C3=CC(=C(C=C3)O)O)CO
InChI
InChI=1S/C18H16O6/c19-7-1-2-11-3-6-15-16(8-11)23-17(10-20)18(24-15)12-4-5-13(21)14(22)9-12/h1-9,17-18,20-22H,10H2/b2-1-
InChIKey
NTXXGPYGMQQSML-UPHRSURJSA-N
Compound name
(Z)-3-[2-(3,4-dihydroxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]prop-2-enal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

328.0947 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.10198 174.7
[M+Na]+ 351.08392 188.2
[M+NH4]+ 346.12852 180.6
[M+K]+ 367.05786 182.8
[M-H]- 327.08742 179.5
[M+Na-2H]- 349.06937 178.2
[M]+ 328.09415 177.9
[M]- 328.09525 177.9
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.