CID 3054629

71548-24-8

Structural Information

Molecular Formula
C17H18O3
SMILES
CCOC(=O)COC1=CC=C(C=C1)CC2=CC=CC=C2
InChI
InChI=1S/C17H18O3/c1-2-19-17(18)13-20-16-10-8-15(9-11-16)12-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3
InChIKey
DRCFCSOWKZBHDM-UHFFFAOYSA-N
Compound name
ethyl 2-(4-benzylphenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.12558 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.13286 163.2
[M+Na]+ 293.11480 177.3
[M+NH4]+ 288.15940 171.3
[M+K]+ 309.08874 169.2
[M-H]- 269.11830 167.3
[M+Na-2H]- 291.10025 172.1
[M]+ 270.12503 166.4
[M]- 270.12613 166.4
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.