CID 98046

P-lactophenetide

Structural Information

Molecular Formula

C₁₁H₁₅NO₃

SMILES

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

InChI

InChI=1S/C11H15NO3/c1-3-15-10-6-4-9(5-7-10)12-11(14)8(2)13/h4-8,13H,3H2,1-2H3,(H,12,14)

InChIKey

GHZNWXGYWUBLLI-UHFFFAOYSA-N

Compound name

N-(4-ethoxyphenyl)-2-hydroxypropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2610
Patents: 209.1052 Da
Monoisotopic Mass: 1.3
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]+	210.11248	146.5
[M+Na]+	232.09442	152.3
[M-H]-	208.09792	148.7
[M+NH4]+	227.13902	164.3
[M+K]+	248.06836	151.0
[M+H-H2O]+	192.10246	140.2
[M+HCOO]-	254.10340	168.8
[M+CH3COO]-	268.11905	187.1
[M+Na-2H]-	230.07987	150.2
[M]+	209.10465	147.1
[M]-	209.10575	147.1

Literature stripe

literature stripe

Patent stripe

patents stripe