CID 15890182

Ethyl 3-[4-(benzyloxy)phenyl]-3-hydroxypropanoate

Structural Information

Molecular Formula

C₁₈H₂₀O₄

SMILES

CCOC(=O)CC(C1=CC=C(C=C1)OCC2=CC=CC=C2)O

InChI

InChI=1S/C18H20O4/c1-2-21-18(20)12-17(19)15-8-10-16(11-9-15)22-13-14-6-4-3-5-7-14/h3-11,17,19H,2,12-13H2,1H3

InChIKey

JLOHCJGAMMDPLV-UHFFFAOYSA-N

Compound name

ethyl 3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 300.13617 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	301.143446	171.0
[M+Na]+	323.125388	175.7
[M-H]-	299.128894	175.7
[M+NH4]+	318.169993	184.7
[M+K]+	339.099328	172.8
[M+H-H2O]+	283.133430	162.7
[M+HCOO]-	345.134371	191.5
[M+CH3COO]-	359.150021	201.0
[M+Na-2H]-	321.110836	173.2
[M]+	300.13562142	173.6
[M]-	300.13671858	173.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe