CID 735846

Methyl 3,4,5-trimethoxycinnamate

Structural Information

Molecular Formula

C₁₃H₁₆O₅

SMILES

COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)OC

InChI

InChI=1S/C13H16O5/c1-15-10-7-9(5-6-12(14)17-3)8-11(16-2)13(10)18-4/h5-8H,1-4H3/b6-5+

InChIKey

KLXHCGFNNUQTEY-AATRIKPKSA-N

Compound name

methyl (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 27
Patents: 252.09978 Da
Monoisotopic Mass: 2.1
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]+	253.10706	155.2
[M+Na]+	275.08900	166.9
[M+NH4]+	270.13360	161.2
[M+K]+	291.06294	161.8
[M-H]-	251.09250	155.3
[M+Na-2H]-	273.07445	159.4
[M]+	252.09923	156.6
[M]-	252.10033	156.6

Literature stripe

literature stripe

Patent stripe

patents stripe