CID 2736435

Ethyl 3-(4-hydroxyphenyl)propanoate

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

CCOC(=O)CCC1=CC=C(C=C1)O

InChI

InChI=1S/C11H14O3/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-4,6-7,12H,2,5,8H2,1H3

InChIKey

UFMFPPAZUJDUMY-UHFFFAOYSA-N

Compound name

ethyl 3-(4-hydroxyphenyl)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 305
Patents: 194.0943 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]+	195.10158	142.4
[M+Na]+	217.08352	154.1
[M+NH4]+	212.12812	149.9
[M+K]+	233.05746	148.3
[M-H]-	193.08702	143.3
[M+Na-2H]-	215.06897	148.0
[M]+	194.09375	144.1
[M]-	194.09485	144.1

Literature stripe

literature stripe

Patent stripe

patents stripe