CID 113539

Phenol, 4,4'-(1-methylethylidene)bis-, 2-propenyl ether

Structural Information

Molecular Formula
C21H24O2
SMILES
CC(CC1=CC=C(C=C1)OCC=C)C2=CC=C(C=C2)OCC=C
InChI
InChI=1S/C21H24O2/c1-4-14-22-20-10-6-18(7-11-20)16-17(3)19-8-12-21(13-9-19)23-15-5-2/h4-13,17H,1-2,14-16H2,3H3
InChIKey
GFBSUEZHLXXVIO-UHFFFAOYSA-N
Compound name
1-prop-2-enoxy-4-[1-(4-prop-2-enoxyphenyl)propan-2-yl]benzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

308.17764 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.18492 176.0
[M+Na]+ 331.16686 181.6
[M-H]- 307.17036 181.9
[M+NH4]+ 326.21146 190.6
[M+K]+ 347.14080 176.5
[M+H-H2O]+ 291.17490 167.5
[M+HCOO]- 353.17584 197.8
[M+CH3COO]- 367.19149 208.5
[M+Na-2H]- 329.15231 177.6
[M]+ 308.17709 179.1
[M]- 308.17819 179.1
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.