CID 101337

Ethyl alpha-cyano-4-methoxycinnamate

Structural Information

Molecular Formula

C₁₃H₁₃NO₃

SMILES

CCOC(=O)C(=CC1=CC=C(C=C1)OC)C#N

InChI

InChI=1S/C13H13NO3/c1-3-17-13(15)11(9-14)8-10-4-6-12(16-2)7-5-10/h4-8H,3H2,1-2H3

InChIKey

KJKGDEVERRGVFA-UHFFFAOYSA-N

Compound name

ethyl 2-cyano-3-(4-methoxyphenyl)prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 231.08954 Da
Monoisotopic Mass: 2.4
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]+	232.09682	153.0
[M+Na]+	254.07876	161.9
[M-H]-	230.08226	156.1
[M+NH4]+	249.12336	169.1
[M+K]+	270.05270	159.2
[M+H-H2O]+	214.08680	140.2
[M+HCOO]-	276.08774	171.9
[M+CH3COO]-	290.10339	201.7
[M+Na-2H]-	252.06421	155.6
[M]+	231.08899	150.8
[M]-	231.09009	150.8

Literature stripe

literature stripe

Patent stripe

patents stripe