CID 23312456

1-(4-bromobenzyl)piperidin-4-amine

Structural Information

Molecular Formula

C₁₂H₁₇BrN₂

SMILES

C1CN(CCC1N)CC2=CC=C(C=C2)Br

InChI

InChI=1S/C12H17BrN2/c13-11-3-1-10(2-4-11)9-15-7-5-12(14)6-8-15/h1-4,12H,5-9,14H2

InChIKey

DDPNUBVUABSUEG-UHFFFAOYSA-N

Compound name

1-[(4-bromophenyl)methyl]piperidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 268.0575 Da
Monoisotopic Mass: 2.1
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]+	269.064776	155.3
[M+Na]+	291.046718	163.7
[M-H]-	267.050224	161.8
[M+NH4]+	286.091323	173.5
[M+K]+	307.020658	151.6
[M+H-H2O]+	251.054760	153.6
[M+HCOO]-	313.055701	172.8
[M+CH3COO]-	327.071351	195.7
[M+Na-2H]-	289.032166	160.2
[M]+	268.05695142	168.0
[M]-	268.05804858	168.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe