CID 67119953

1-[4-(bromomethyl)phenyl]pyrrolidine hydrobromide

Structural Information

Molecular Formula

C₁₁H₁₄BrN

SMILES

C1CCN(C1)C2=CC=C(C=C2)CBr

InChI

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

InChIKey

QECJAIWNPGVUHE-UHFFFAOYSA-N

Compound name

1-[4-(bromomethyl)phenyl]pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 239.03096 Da
Monoisotopic Mass: 4.1
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]+	240.03824	150.9
[M+Na]+	262.02018	154.0
[M+NH4]+	257.06478	156.7
[M+K]+	277.99412	153.9
[M-H]-	238.02368	153.0
[M+Na-2H]-	260.00563	154.9
[M]+	239.03041	150.7
[M]-	239.03151	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe