CID 204965

17125-21-2

Structural Information

Molecular Formula

C₁₅H₁₆BrN

SMILES

C1=CC=C(C=C1)CNCC(C2=CC=CC=C2)Br

InChI

InChI=1S/C15H16BrN/c16-15(14-9-5-2-6-10-14)12-17-11-13-7-3-1-4-8-13/h1-10,15,17H,11-12H2

InChIKey

RQLCFGXVDHZBGR-UHFFFAOYSA-N

Compound name

N-benzyl-2-bromo-2-phenylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 289.0466 Da
Monoisotopic Mass: 3.6
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]+	290.05388	160.5
[M+Na]+	312.03582	168.4
[M-H]-	288.03932	168.7
[M+NH4]+	307.08042	178.9
[M+K]+	328.00976	156.2
[M+H-H2O]+	272.04386	158.9
[M+HCOO]-	334.04480	181.9
[M+CH3COO]-	348.06045	200.0
[M+Na-2H]-	310.02127	167.8
[M]+	289.04605	177.2
[M]-	289.04715	177.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe