CID 48342

Benzylamine, n-(2-bromoallyl)-n-methyl-, hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₄BrN

SMILES

CN(CC1=CC=CC=C1)CC(=C)Br

InChI

InChI=1S/C11H14BrN/c1-10(12)8-13(2)9-11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3

InChIKey

SPHHUCGYUGGGPF-UHFFFAOYSA-N

Compound name

N-benzyl-2-bromo-N-methylprop-2-en-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 239.03096 Da
Monoisotopic Mass: 2.9
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]+	240.03824	147.7
[M+Na]+	262.02018	156.8
[M-H]-	238.02368	154.7
[M+NH4]+	257.06478	169.0
[M+K]+	277.99412	146.2
[M+H-H2O]+	222.02822	146.8
[M+HCOO]-	284.02916	169.6
[M+CH3COO]-	298.04481	195.4
[M+Na-2H]-	260.00563	153.9
[M]+	239.03041	166.0
[M]-	239.03151	166.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe