CID 178925

97055-05-5

Structural Information

Molecular Formula

C₁₁H₁₅NO₂

SMILES

CCC1=CC=CC(=C1NC(=O)CO)C

InChI

InChI=1S/C11H15NO2/c1-3-9-6-4-5-8(2)11(9)12-10(14)7-13/h4-6,13H,3,7H2,1-2H3,(H,12,14)

InChIKey

MXMPHDJVYOMMTN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 1
Patents: 193.11028 Da
Monoisotopic Mass: 0.8
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]+	194.11756	143.3
[M+Na]+	216.09950	154.6
[M+NH4]+	211.14410	150.8
[M+K]+	232.07344	148.9
[M-H]-	192.10300	145.0
[M+Na-2H]-	214.08495	148.8
[M]+	193.10973	145.2
[M]-	193.11083	145.2

Literature stripe

literature stripe

Patent stripe

patents stripe