CID 74457

1745-89-7

Structural Information

Molecular Formula
C21H24O2
SMILES
CC(C)(C1=CC(=C(C=C1)O)CC=C)C2=CC(=C(C=C2)O)CC=C
InChI
InChI=1S/C21H24O2/c1-5-7-15-13-17(9-11-19(15)22)21(3,4)18-10-12-20(23)16(14-18)8-6-2/h5-6,9-14,22-23H,1-2,7-8H2,3-4H3
InChIKey
WOCGGVRGNIEDSZ-UHFFFAOYSA-N
Compound name
4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

10973
Patents

308.17764 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.18492 175.3
[M+Na]+ 331.16686 182.6
[M-H]- 307.17036 179.5
[M+NH4]+ 326.21146 189.3
[M+K]+ 347.14080 176.0
[M+H-H2O]+ 291.17490 168.5
[M+HCOO]- 353.17584 193.4
[M+CH3COO]- 367.19149 205.5
[M+Na-2H]- 329.15231 176.7
[M]+ 308.17709 175.7
[M]- 308.17819 175.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe