CID 45092541

3-bromopyrrolidine hydrochloride

Structural Information

Molecular Formula

SMILES

C1CNC[C@H]1Br

InChI

InChI=1S/C4H8BrN/c5-4-1-2-6-3-4/h4,6H,1-3H2/t4-/m0/s1

InChIKey

UKYCQJXBNJJMDX-BYPYZUCNSA-N

Compound name

(3S)-3-bromopyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 131
Patents: 148.98401 Da
Monoisotopic Mass: 0.8
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]+	149.99129	126.3
[M+Na]+	171.97323	136.8
[M-H]-	147.97673	129.7
[M+NH4]+	167.01783	150.6
[M+K]+	187.94717	126.8
[M+H-H2O]+	131.98127	126.8
[M+HCOO]-	193.98221	145.2
[M+CH3COO]-	207.99786	168.7
[M+Na-2H]-	169.95868	133.1
[M]+	148.98346	139.6
[M]-	148.98456	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.