CID 62829515

1176667-98-3

Structural Information

Molecular Formula

C₁₂H₁₆BrN

SMILES

C1CCC(C1)(CN)C2=CC=CC=C2Br

InChI

InChI=1S/C12H16BrN/c13-11-6-2-1-5-10(11)12(9-14)7-3-4-8-12/h1-2,5-6H,3-4,7-9,14H2

InChIKey

VKAHWYYUTWZAMY-UHFFFAOYSA-N

Compound name

[1-(2-bromophenyl)cyclopentyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 253.04662 Da
Monoisotopic Mass: 3.3
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]+	254.053896	153.3
[M+Na]+	276.035838	162.9
[M-H]-	252.039344	161.7
[M+NH4]+	271.080443	176.9
[M+K]+	292.009778	151.1
[M+H-H2O]+	236.043880	153.3
[M+HCOO]-	298.044821	174.2
[M+CH3COO]-	312.060471	191.4
[M+Na-2H]-	274.021286	158.4
[M]+	253.04607142	167.5
[M]-	253.04716858	167.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe