CID 90232

Ethyl 4-ethoxybenzoate

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

CCOC1=CC=C(C=C1)C(=O)OCC

InChI

InChI=1S/C11H14O3/c1-3-13-10-7-5-9(6-8-10)11(12)14-4-2/h5-8H,3-4H2,1-2H3

InChIKey

HRAQMGWTPNOILP-UHFFFAOYSA-N

Compound name

ethyl 4-ethoxybenzoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 3053
Patents: 194.0943 Da
Monoisotopic Mass: 3.2
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]+	195.101576	141.2
[M+Na]+	217.083518	148.7
[M-H]-	193.087024	145.0
[M+NH4]+	212.128123	160.9
[M+K]+	233.057458	147.9
[M+H-H2O]+	177.091560	135.2
[M+HCOO]-	239.092501	165.1
[M+CH3COO]-	253.108151	183.8
[M+Na-2H]-	215.068966	146.5
[M]+	194.09375142	145.2
[M]-	194.09484858	145.2

Literature stripe

literature stripe

Patent stripe

patents stripe