CID 133634

63958-56-5

Structural Information

Molecular Formula

C₉H₁₇Cl₂N

SMILES

C1CCN(C(C1)CCl)CCCCl

InChI

InChI=1S/C9H17Cl2N/c10-5-3-7-12-6-2-1-4-9(12)8-11/h9H,1-8H2

InChIKey

DJDLKHMZWYZCFR-UHFFFAOYSA-N

Compound name

2-(chloromethyl)-1-(3-chloropropyl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 2
Patents: 209.0738 Da
Monoisotopic Mass: 2.7
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]+	210.08108	145.9
[M+Na]+	232.06302	152.1
[M-H]-	208.06652	146.0
[M+NH4]+	227.10762	164.5
[M+K]+	248.03696	147.4
[M+H-H2O]+	192.07106	140.5
[M+HCOO]-	254.07200	154.9
[M+CH3COO]-	268.08765	184.9
[M+Na-2H]-	230.04847	148.9
[M]+	209.07325	144.9
[M]-	209.07435	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe