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 171.3
[M+Na]+ 319.13046 179.5
[M-H]- 295.13396 179.3
[M+NH4]+ 314.17506 186.6
[M+K]+ 335.10440 176.8
[M+H-H2O]+ 279.13850 165.1
[M+HCOO]- 341.13944 189.5
[M+CH3COO]- 355.15509 202.9
[M+Na-2H]- 317.11591 173.1
[M]+ 296.14069 174.1
[M]- 296.14179 174.1
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.