CID 150681

N-benzyl-2-bromo-n-methylacetamide

Structural Information

Molecular Formula

C₁₀H₁₂BrNO

SMILES

CN(CC1=CC=CC=C1)C(=O)CBr

InChI

InChI=1S/C10H12BrNO/c1-12(10(13)7-11)8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3

InChIKey

XIBVVIAYYYFAAI-UHFFFAOYSA-N

Compound name

N-benzyl-2-bromo-N-methylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 241.01022 Da
Monoisotopic Mass: 2.0
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]+	242.017496	146.1
[M+Na]+	263.999438	155.5
[M-H]-	240.002944	153.2
[M+NH4]+	259.044043	167.3
[M+K]+	279.973378	145.7
[M+H-H2O]+	224.007480	145.2
[M+HCOO]-	286.008421	168.5
[M+CH3COO]-	300.024071	193.8
[M+Na-2H]-	261.984886	152.8
[M]+	241.00967142	165.3
[M]-	241.01076858	165.3

Literature stripe

literature stripe

Patent stripe

patents stripe