CID 109367

68426-05-1

Structural Information

Molecular Formula
C18H20O2
SMILES
COC(CC1=CC=CC=C1)OCC=CC2=CC=CC=C2
InChI
InChI=1S/C18H20O2/c1-19-18(15-17-11-6-3-7-12-17)20-14-8-13-16-9-4-2-5-10-16/h2-13,18H,14-15H2,1H3
InChIKey
DIBGDYHBYFMHED-UHFFFAOYSA-N
Compound name
3-(1-methoxy-2-phenylethoxy)prop-1-enylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.14633 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.15361 164.7
[M+Na]+ 291.13555 169.6
[M-H]- 267.13905 170.4
[M+NH4]+ 286.18015 180.5
[M+K]+ 307.10949 165.6
[M+H-H2O]+ 251.14359 156.4
[M+HCOO]- 313.14453 187.4
[M+CH3COO]- 327.16018 197.4
[M+Na-2H]- 289.12100 169.3
[M]+ 268.14578 166.5
[M]- 268.14688 166.5
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.