CID 5373781

24393-55-3

Structural Information

Molecular Formula

C₁₂H₁₄O₃

SMILES

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

InChI

InChI=1S/C12H14O3/c1-3-15-12(13)8-7-10-5-4-6-11(9-10)14-2/h4-9H,3H2,1-2H3/b8-7+

InChIKey

UPOMPRQKAGEXPN-BQYQJAHWSA-N

Compound name

ethyl (E)-3-(3-methoxyphenyl)prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 91
Patents: 206.0943 Da
Monoisotopic Mass: 2.8
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]+	207.10158	144.6
[M+Na]+	229.08352	152.1
[M-H]-	205.08702	148.3
[M+NH4]+	224.12812	163.8
[M+K]+	245.05746	150.4
[M+H-H2O]+	189.09156	138.5
[M+HCOO]-	251.09250	168.4
[M+CH3COO]-	265.10815	185.3
[M+Na-2H]-	227.06897	149.4
[M]+	206.09375	148.2
[M]-	206.09485	148.2

Literature stripe

literature stripe

Patent stripe

patents stripe