CID 6446424

D 566

Structural Information

Molecular Formula
C18H18O5
SMILES
COC1=CC(=C(C=C1)OC)C(/C=C/C2=CC3=C(C=C2)OCO3)O
InChI
InChI=1S/C18H18O5/c1-20-13-5-8-16(21-2)14(10-13)15(19)6-3-12-4-7-17-18(9-12)23-11-22-17/h3-10,15,19H,11H2,1-2H3/b6-3+
InChIKey
AAGKIGGBUNSURO-ZZXKWVIFSA-N
Compound name
(E)-3-(1,3-benzodioxol-5-yl)-1-(2,5-dimethoxyphenyl)prop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.11542 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.12270 172.1
[M+Na]+ 337.10464 179.4
[M-H]- 313.10814 179.9
[M+NH4]+ 332.14924 186.1
[M+K]+ 353.07858 178.3
[M+H-H2O]+ 297.11268 165.4
[M+HCOO]- 359.11362 191.1
[M+CH3COO]- 373.12927 203.1
[M+Na-2H]- 335.09009 175.4
[M]+ 314.11487 177.1
[M]- 314.11597 177.1
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

No patent data available for this compound.