CID 622665

70311-20-5

Structural Information

Molecular Formula

C₁₄H₂₀O₅

SMILES

CCOC(=O)CCC1=CC(=C(C(=C1)OC)OC)OC

InChI

InChI=1S/C14H20O5/c1-5-19-13(15)7-6-10-8-11(16-2)14(18-4)12(9-10)17-3/h8-9H,5-7H2,1-4H3

InChIKey

AYBWQZGGKFGQLB-UHFFFAOYSA-N

Compound name

ethyl 3-(3,4,5-trimethoxyphenyl)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 39
Patents: 268.13107 Da
Monoisotopic Mass: 2.3
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]+	269.138346	159.3
[M+Na]+	291.120288	167.1
[M-H]-	267.123794	163.2
[M+NH4]+	286.164893	176.4
[M+K]+	307.094228	166.8
[M+H-H2O]+	251.128330	152.7
[M+HCOO]-	313.129271	182.5
[M+CH3COO]-	327.144921	199.4
[M+Na-2H]-	289.105736	161.8
[M]+	268.13052142	168.1
[M]-	268.13161858	168.1

Literature stripe

literature stripe

Patent stripe

patents stripe