CID 58978

N-(m-methoxybenzyl)nonanamide

Structural Information

Molecular Formula

C₁₇H₂₇NO₂

SMILES

CCCCCCCCC(=O)NCC1=CC(=CC=C1)OC

InChI

InChI=1S/C17H27NO2/c1-3-4-5-6-7-8-12-17(19)18-14-15-10-9-11-16(13-15)20-2/h9-11,13H,3-8,12,14H2,1-2H3,(H,18,19)

InChIKey

VSFPQNVDTDNZRO-UHFFFAOYSA-N

Compound name

N-[(3-methoxyphenyl)methyl]nonanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 277.2042 Da
Monoisotopic Mass: 4.5
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]+	278.211476	170.4
[M+Na]+	300.193418	174.4
[M-H]-	276.196924	172.8
[M+NH4]+	295.238023	186.3
[M+K]+	316.167358	171.4
[M+H-H2O]+	260.201460	162.8
[M+HCOO]-	322.202401	192.9
[M+CH3COO]-	336.218051	204.8
[M+Na-2H]-	298.178866	172.5
[M]+	277.20365142	174.3
[M]-	277.20474858	174.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.