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]+ 297.18492 173.0
[M+Na]+ 319.16686 179.2
[M-H]- 295.17036 176.6
[M+NH4]+ 314.21146 187.3
[M+K]+ 335.14080 172.7
[M+H-H2O]+ 279.17490 165.4
[M+HCOO]- 341.17584 192.9
[M+CH3COO]- 355.19149 201.0
[M+Na-2H]- 317.15231 174.7
[M]+ 296.17709 173.7
[M]- 296.17819 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.