CID 6446423

D 369

Structural Information

Molecular Formula
C19H20O3
SMILES
CC1=CC(=C(C(=C1)C)C(/C=C/C2=CC3=C(C=C2)OCO3)O)C
InChI
InChI=1S/C19H20O3/c1-12-8-13(2)19(14(3)9-12)16(20)6-4-15-5-7-17-18(10-15)22-11-21-17/h4-10,16,20H,11H2,1-3H3/b6-4+
InChIKey
AHLBHBOHZYFLSX-GQCTYLIASA-N
Compound name
(E)-3-(1,3-benzodioxol-5-yl)-1-(2,4,6-trimethylphenyl)prop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.14124 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.14852 169.7
[M+Na]+ 319.13046 183.7
[M+NH4]+ 314.17506 177.8
[M+K]+ 335.10440 178.8
[M-H]- 295.13396 176.1
[M+Na-2H]- 317.11591 174.4
[M]+ 296.14069 173.6
[M]- 296.14179 173.6
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.