CID 53671371

N,n-diallyl-3-bromoaniline

Structural Information

Molecular Formula

C₁₂H₁₄BrN

SMILES

C=CCN(CC=C)C1=CC(=CC=C1)Br

InChI

InChI=1S/C12H14BrN/c1-3-8-14(9-4-2)12-7-5-6-11(13)10-12/h3-7,10H,1-2,8-9H2

InChIKey

BADPJGVDSIXJKT-UHFFFAOYSA-N

Compound name

3-bromo-N,N-bis(prop-2-enyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 251.03096 Da
Monoisotopic Mass: 4.0
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]+	252.03824	149.2
[M+Na]+	274.02018	159.3
[M-H]-	250.02368	156.3
[M+NH4]+	269.06478	170.4
[M+K]+	289.99412	147.5
[M+H-H2O]+	234.02822	148.4
[M+HCOO]-	296.02916	172.0
[M+CH3COO]-	310.04481	197.6
[M+Na-2H]-	272.00563	155.6
[M]+	251.03041	168.1
[M]-	251.03151	168.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe