CID 3059006

Phenylethyleugenol

Structural Information

Molecular Formula
C18H20O2
SMILES
COC1=C(C=CC(=C1)CC=C)OCCC2=CC=CC=C2
InChI
InChI=1S/C18H20O2/c1-3-7-16-10-11-17(18(14-16)19-2)20-13-12-15-8-5-4-6-9-15/h3-6,8-11,14H,1,7,12-13H2,2H3
InChIKey
NDAOLZJCAWTLKT-UHFFFAOYSA-N
Compound name
2-methoxy-1-(2-phenylethoxy)-4-prop-2-enylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

268.14633 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.15361 164.2
[M+Na]+ 291.13555 179.3
[M+NH4]+ 286.18015 172.8
[M+K]+ 307.10949 169.8
[M-H]- 267.13905 169.1
[M+Na-2H]- 289.12100 173.5
[M]+ 268.14578 167.9
[M]- 268.14688 167.9
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

patents stripe