CID 4092607

N-(4-chlorobenzyl)hexanamide

Structural Information

Molecular Formula

C₁₃H₁₈ClNO

SMILES

CCCCCC(=O)NCC1=CC=C(C=C1)Cl

InChI

InChI=1S/C13H18ClNO/c1-2-3-4-5-13(16)15-10-11-6-8-12(14)9-7-11/h6-9H,2-5,10H2,1H3,(H,15,16)

InChIKey

FGHCZRALODBTOD-UHFFFAOYSA-N

Compound name

N-[(4-chlorophenyl)methyl]hexanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 239.1077 Da
Monoisotopic Mass: 3.6
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]+	240.11498	154.7
[M+Na]+	262.09692	167.1
[M+NH4]+	257.14152	163.1
[M+K]+	278.07086	158.9
[M-H]-	238.10042	157.3
[M+Na-2H]-	260.08237	161.1
[M]+	239.10715	157.4
[M]-	239.10825	157.4

Literature stripe

literature stripe

Patent stripe

patents stripe