CID 51618

Benzylamine, n-(2-bromoallyl)-

Structural Information

Molecular Formula

C₁₀H₁₂BrN

SMILES

C=C(CNCC1=CC=CC=C1)Br

InChI

InChI=1S/C10H12BrN/c1-9(11)7-12-8-10-5-3-2-4-6-10/h2-6,12H,1,7-8H2

InChIKey

VTZNTXQISCQQLW-UHFFFAOYSA-N

Compound name

N-benzyl-2-bromoprop-2-en-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 225.0153 Da
Monoisotopic Mass: 2.4
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]+	226.02258	143.1
[M+Na]+	248.00452	152.4
[M-H]-	224.00802	148.8
[M+NH4]+	243.04912	164.3
[M+K]+	263.97846	140.7
[M+H-H2O]+	208.01256	142.6
[M+HCOO]-	270.01350	164.9
[M+CH3COO]-	284.02915	189.3
[M+Na-2H]-	245.98997	150.6
[M]+	225.01475	159.8
[M]-	225.01585	159.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.