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
2
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]+ 269.153606 164.7
[M+Na]+ 291.135548 169.6
[M-H]- 267.139054 170.4
[M+NH4]+ 286.180153 180.5
[M+K]+ 307.109488 165.6
[M+H-H2O]+ 251.143590 156.4
[M+HCOO]- 313.144531 187.4
[M+CH3COO]- 327.160181 197.4
[M+Na-2H]- 289.120996 169.3
[M]+ 268.14578142 166.5
[M]- 268.14687858 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.