CID 71267

86574-32-5

Structural Information

Molecular Formula

C₁₆H₂₄N₂O

SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCCCCC2

InChI

InChI=1S/C16H24N2O/c1-13-8-7-9-14(2)16(13)17-15(19)12-18-10-5-3-4-6-11-18/h7-9H,3-6,10-12H2,1-2H3,(H,17,19)

InChIKey

RJOUHGWLHPOQSA-UHFFFAOYSA-N

Compound name

2-(azepan-1-yl)-N-(2,6-dimethylphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 13
References: 31
Patents: 260.18887 Da
Monoisotopic Mass: 3.1
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]+	261.19615	160.9
[M+Na]+	283.17809	163.2
[M-H]-	259.18159	166.2
[M+NH4]+	278.22269	174.8
[M+K]+	299.15203	164.7
[M+H-H2O]+	243.18613	152.9
[M+HCOO]-	305.18707	178.8
[M+CH3COO]-	319.20272	200.9
[M+Na-2H]-	281.16354	162.5
[M]+	260.18832	154.1
[M]-	260.18942	154.1

Literature stripe

literature stripe

Patent stripe

patents stripe