CID 7016459

1187385-56-3

Structural Information

Molecular Formula

C₁₀H₁₂BrN

SMILES

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

InChI

InChI=1S/C10H12BrN/c11-9-4-3-5-10(8-9)12-6-1-2-7-12/h3-5,8H,1-2,6-7H2

InChIKey

SKCNYQBWULWGAP-UHFFFAOYSA-N

Compound name

1-(3-bromophenyl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 169
Patents: 225.0153 Da
Monoisotopic Mass: 4.3
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]+	226.02258	144.2
[M+Na]+	248.00452	154.8
[M-H]-	224.00802	151.9
[M+NH4]+	243.04912	166.4
[M+K]+	263.97846	144.1
[M+H-H2O]+	208.01256	143.9
[M+HCOO]-	270.01350	164.4
[M+CH3COO]-	284.02915	159.1
[M+Na-2H]-	245.98997	150.1
[M]+	225.01475	159.7
[M]-	225.01585	159.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe