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

37
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 163.3
[M+Na]+ 291.13555 170.2
[M-H]- 267.13905 169.6
[M+NH4]+ 286.18015 179.7
[M+K]+ 307.10949 165.9
[M+H-H2O]+ 251.14359 155.2
[M+HCOO]- 313.14453 186.9
[M+CH3COO]- 327.16018 199.5
[M+Na-2H]- 289.12100 167.7
[M]+ 268.14578 166.6
[M]- 268.14688 166.6
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