CID 53626274

{[1-(4-bromophenyl)cyclopropyl]methyl}(methyl)amine hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₄BrN

SMILES

CNCC1(CC1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C11H14BrN/c1-13-8-11(6-7-11)9-2-4-10(12)5-3-9/h2-5,13H,6-8H2,1H3

InChIKey

AVXVNIGSWYFIES-UHFFFAOYSA-N

Compound name

1-[1-(4-bromophenyl)cyclopropyl]-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 239.03096 Da
Monoisotopic Mass: 2.7
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]+	240.038236	143.9
[M+Na]+	262.020178	156.2
[M-H]-	238.023684	153.9
[M+NH4]+	257.064783	162.3
[M+K]+	277.994118	145.2
[M+H-H2O]+	222.028220	143.8
[M+HCOO]-	284.029161	166.5
[M+CH3COO]-	298.044811	194.1
[M+Na-2H]-	260.005626	153.0
[M]+	239.03041142	163.5
[M]-	239.03150858	163.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe