CID 10391

Beclamide

Structural Information

Molecular Formula

C₁₀H₁₂ClNO

SMILES

C1=CC=C(C=C1)CNC(=O)CCCl

InChI

InChI=1S/C10H12ClNO/c11-7-6-10(13)12-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)

InChIKey

JPYQFYIEOUVJDU-UHFFFAOYSA-N

Compound name

N-benzyl-3-chloropropanamide

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 30
References: 9691
Patents: 197.06075 Da
Monoisotopic Mass: 1.7
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]+	198.06803	141.7
[M+Na]+	220.04997	148.7
[M-H]-	196.05347	144.9
[M+NH4]+	215.09457	161.5
[M+K]+	236.02391	144.8
[M+H-H2O]+	180.05801	136.4
[M+HCOO]-	242.05895	161.9
[M+CH3COO]-	256.07460	184.3
[M+Na-2H]-	218.03542	147.9
[M]+	197.06020	143.3
[M]-	197.06130	143.3

Literature stripe

literature stripe

Patent stripe

patents stripe