CID 131752715

Isoamericanol

Structural Information

Molecular Formula
C18H18O6
SMILES
C1=CC2=C(C=C1/C=C\CO)OC(C(O2)CO)C3=CC(=C(C=C3)O)O
InChI
InChI=1S/C18H18O6/c19-7-1-2-11-3-6-15-16(8-11)24-18(17(10-20)23-15)12-4-5-13(21)14(22)9-12/h1-6,8-9,17-22H,7,10H2/b2-1-
InChIKey
PPZYUSOIUGJLFB-UPHRSURJSA-N
Compound name
4-[2-(hydroxymethyl)-6-[(Z)-3-hydroxyprop-1-enyl]-2,3-dihydro-1,4-benzodioxin-3-yl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

330.11035 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.11763 176.4
[M+Na]+ 353.09957 189.2
[M+NH4]+ 348.14417 182.1
[M+K]+ 369.07351 184.2
[M-H]- 329.10307 180.9
[M+Na-2H]- 351.08502 179.2
[M]+ 330.10980 179.3
[M]- 330.11090 179.3
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.