CID 133052753

Dtxsid00891591

Structural Information

Molecular Formula

C₁₄H₂₁NO₂

SMILES

CCC(=O)NC(C)COC1=C(C=CC=C1C)C

InChI

InChI=1S/C14H21NO2/c1-5-13(16)15-12(4)9-17-14-10(2)7-6-8-11(14)3/h6-8,12H,5,9H2,1-4H3,(H,15,16)

InChIKey

KQTNKAWCVIBWHG-UHFFFAOYSA-N

Compound name

N-[1-(2,6-dimethylphenoxy)propan-2-yl]propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 235.15723 Da
Monoisotopic Mass: 2.9
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]+	236.164506	156.3
[M+Na]+	258.146448	162.4
[M-H]-	234.149954	159.9
[M+NH4]+	253.191053	174.2
[M+K]+	274.120388	160.7
[M+H-H2O]+	218.154490	149.8
[M+HCOO]-	280.155431	178.9
[M+CH3COO]-	294.171081	197.8
[M+Na-2H]-	256.131896	158.2
[M]+	235.15668142	158.9
[M]-	235.15777858	158.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.