CID 6450718

Cinnamic acid, 3-methoxy-4-propoxy-, ethyl ester

Structural Information

Molecular Formula

C₁₅H₂₀O₄

SMILES

CCCOC1=C(C=C(C=C1)/C=C/C(=O)OCC)OC

InChI

InChI=1S/C15H20O4/c1-4-10-19-13-8-6-12(11-14(13)17-3)7-9-15(16)18-5-2/h6-9,11H,4-5,10H2,1-3H3/b9-7+

InChIKey

QLNZAEKAGOCIKD-VQHVLOKHSA-N

Compound name

ethyl (E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 264.13617 Da
Monoisotopic Mass: 3.4
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]+	265.143446	160.8
[M+Na]+	287.125388	167.8
[M-H]-	263.128894	164.2
[M+NH4]+	282.169993	177.8
[M+K]+	303.099328	165.9
[M+H-H2O]+	247.133430	154.0
[M+HCOO]-	309.134371	183.7
[M+CH3COO]-	323.150021	197.6
[M+Na-2H]-	285.110836	163.3
[M]+	264.13562142	167.3
[M]-	264.13671858	167.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe