CID 80689917

3-(bromomethyl)-1-(2-methoxyethyl)pyrrolidine hydrobromide

Structural Information

Molecular Formula

C₈H₁₆BrNO

SMILES

COCCN1CCC(C1)CBr

InChI

InChI=1S/C8H16BrNO/c1-11-5-4-10-3-2-8(6-9)7-10/h8H,2-7H2,1H3

InChIKey

XWORYKBPBYHNDH-UHFFFAOYSA-N

Compound name

3-(bromomethyl)-1-(2-methoxyethyl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 221.04153 Da
Monoisotopic Mass: 1.3
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]+	222.048806	145.5
[M+Na]+	244.030748	155.7
[M-H]-	220.034254	149.9
[M+NH4]+	239.075353	168.1
[M+K]+	260.004688	145.9
[M+H-H2O]+	204.038790	145.2
[M+HCOO]-	266.039731	164.8
[M+CH3COO]-	280.055381	185.4
[M+Na-2H]-	242.016196	150.2
[M]+	221.04098142	163.7
[M]-	221.04207858	163.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.