CID 6444804

18221-53-9

Structural Information

Molecular Formula
C20H24O2
SMILES
CCCCCCC1=CC(=C(C=C1)O)/C=C/C2=CC=CC=C2O
InChI
InChI=1S/C20H24O2/c1-2-3-4-5-8-16-11-14-20(22)18(15-16)13-12-17-9-6-7-10-19(17)21/h6-7,9-15,21-22H,2-5,8H2,1H3/b13-12+
InChIKey
WFQYFNUMTUOTGC-OUKQBFOZSA-N
Compound name
4-hexyl-2-[(E)-2-(2-hydroxyphenyl)ethenyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.17764 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.184916 173.0
[M+Na]+ 319.166858 179.2
[M-H]- 295.170364 176.6
[M+NH4]+ 314.211463 187.3
[M+K]+ 335.140798 172.7
[M+H-H2O]+ 279.174900 165.4
[M+HCOO]- 341.175841 192.9
[M+CH3COO]- 355.191491 201.0
[M+Na-2H]- 317.152306 174.7
[M]+ 296.17709142 173.7
[M]- 296.17818858 173.7
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.