CID 54592496

2-chloro-n-[cyclopentyl(phenyl)methyl]acetamide

Structural Information

Molecular Formula

C₁₄H₁₈ClNO

SMILES

C1CCC(C1)C(C2=CC=CC=C2)NC(=O)CCl

InChI

InChI=1S/C14H18ClNO/c15-10-13(17)16-14(12-8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7,12,14H,4-5,8-10H2,(H,16,17)

InChIKey

ZBPDWWZMWVJDOX-UHFFFAOYSA-N

Compound name

2-chloro-N-[cyclopentyl(phenyl)methyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 251.1077 Da
Monoisotopic Mass: 3.5
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]+	252.114976	160.4
[M+Na]+	274.096918	164.5
[M-H]-	250.100424	165.8
[M+NH4]+	269.141523	179.1
[M+K]+	290.070858	160.0
[M+H-H2O]+	234.104960	153.8
[M+HCOO]-	296.105901	177.4
[M+CH3COO]-	310.121551	193.4
[M+Na-2H]-	272.082366	161.1
[M]+	251.10715142	158.1
[M]-	251.10824858	158.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.