CID 12738004

1609402-88-1

Structural Information

Molecular Formula

C₁₁H₁₄BrN

SMILES

C1CCN(C1)CC2=CC=C(C=C2)Br

InChI

InChI=1S/C11H14BrN/c12-11-5-3-10(4-6-11)9-13-7-1-2-8-13/h3-6H,1-2,7-9H2

InChIKey

UKJIGXJYXLVARZ-UHFFFAOYSA-N

Compound name

1-[(4-bromophenyl)methyl]pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 142
Patents: 239.03096 Da
Monoisotopic Mass: 2.9
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	148.9
[M+Na]+	262.020178	159.0
[M-H]-	238.023684	156.4
[M+NH4]+	257.064783	170.5
[M+K]+	277.994118	148.0
[M+H-H2O]+	222.028220	148.3
[M+HCOO]-	284.029161	168.6
[M+CH3COO]-	298.044811	163.3
[M+Na-2H]-	260.005626	154.1
[M]+	239.03041142	164.6
[M]-	239.03150858	164.6

Literature stripe

literature stripe

Patent stripe

patents stripe