CID 58979

N-(4-methoxybenzyl)nonanamide

Structural Information

Molecular Formula

C₁₇H₂₇NO₂

SMILES

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

InChI

InChI=1S/C17H27NO2/c1-3-4-5-6-7-8-9-17(19)18-14-15-10-12-16(20-2)13-11-15/h10-13H,3-9,14H2,1-2H3,(H,18,19)

InChIKey

LAOPYCHFTQZMDR-UHFFFAOYSA-N

Compound name

N-[(4-methoxyphenyl)methyl]nonanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
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]+	278.21148	170.4
[M+Na]+	300.19342	174.4
[M-H]-	276.19692	172.8
[M+NH4]+	295.23802	186.3
[M+K]+	316.16736	171.4
[M+H-H2O]+	260.20146	162.8
[M+HCOO]-	322.20240	192.9
[M+CH3COO]-	336.21805	204.8
[M+Na-2H]-	298.17887	172.5
[M]+	277.20365	174.3
[M]-	277.20475	174.3

Literature stripe

literature stripe

Patent stripe

patents stripe