CID 22071462

74886-79-6

Structural Information

Molecular Formula

C₁₄H₂₁NO₂

SMILES

CCC1=C(C(=CC=C1)CC)N(COC)C(=O)C

InChI

InChI=1S/C14H21NO2/c1-5-12-8-7-9-13(6-2)14(12)15(10-17-4)11(3)16/h7-9H,5-6,10H2,1-4H3

InChIKey

BYEGPMKRXMKWDJ-UHFFFAOYSA-N

Compound name

N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 26
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	155.7
[M+Na]+	258.146448	162.2
[M-H]-	234.149954	160.7
[M+NH4]+	253.191053	174.3
[M+K]+	274.120388	161.4
[M+H-H2O]+	218.154490	148.9
[M+HCOO]-	280.155431	179.8
[M+CH3COO]-	294.171081	200.4
[M+Na-2H]-	256.131896	158.1
[M]+	235.15668142	160.2
[M]-	235.15777858	160.2

Literature stripe

literature stripe

Patent stripe

patents stripe