CID 3025254

Erl-541

Structural Information

Molecular Formula

C₁₀H₁₉Cl₂N

SMILES

CCCCN1C(CCC1CCl)CCl

InChI

InChI=1S/C10H19Cl2N/c1-2-3-6-13-9(7-11)4-5-10(13)8-12/h9-10H,2-8H2,1H3

InChIKey

QGVZPXFGVXLAON-UHFFFAOYSA-N

Compound name

1-butyl-2,5-bis(chloromethyl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 223.08946 Da
Monoisotopic Mass: 3.3
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]+	224.09674	152.7
[M+Na]+	246.07868	160.4
[M-H]-	222.08218	153.2
[M+NH4]+	241.12328	172.9
[M+K]+	262.05262	155.2
[M+H-H2O]+	206.08672	147.4
[M+HCOO]-	268.08766	163.4
[M+CH3COO]-	282.10331	188.7
[M+Na-2H]-	244.06413	153.0
[M]+	223.08891	154.3
[M]-	223.09001	154.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.