CID 162905

60090-47-3

Structural Information

Molecular Formula

C₁₄H₂₁NO₃

SMILES

CCC1=CC=CC(=C1N(COCC)C(=O)CO)C

InChI

InChI=1S/C14H21NO3/c1-4-12-8-6-7-11(3)14(12)15(10-18-5-2)13(17)9-16/h6-8,16H,4-5,9-10H2,1-3H3

InChIKey

HMHFIHGLTXUWDR-UHFFFAOYSA-N

Compound name

N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-hydroxyacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 251.15215 Da
Monoisotopic Mass: 1.9
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]+	252.15943	159.3
[M+Na]+	274.14137	169.7
[M+NH4]+	269.18597	166.0
[M+K]+	290.11531	164.3
[M-H]-	250.14487	160.7
[M+Na-2H]-	272.12682	163.8
[M]+	251.15160	160.9
[M]-	251.15270	160.9

Literature stripe

literature stripe

Patent stripe

patents stripe