CID 4013102

1187927-02-1

Structural Information

Molecular Formula

C₁₁H₁₄BrN

SMILES

C1CC(NC1)CC2=CC=C(C=C2)Br

InChI

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

InChIKey

PRNKZLSWJHKYQX-UHFFFAOYSA-N

Compound name

2-[(4-bromophenyl)methyl]pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 239.03096 Da
Monoisotopic Mass: 3.0
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]+	240.03824	149.7
[M+Na]+	262.02018	159.3
[M-H]-	238.02368	155.9
[M+NH4]+	257.06478	170.6
[M+K]+	277.99412	147.5
[M+H-H2O]+	222.02822	149.3
[M+HCOO]-	284.02916	168.0
[M+CH3COO]-	298.04481	163.4
[M+Na-2H]-	260.00563	154.5
[M]+	239.03041	163.7
[M]-	239.03151	163.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe