CID 96084

N-(3-chloropropyl)dibutylamine

Structural Information

Molecular Formula

C₁₁H₂₄ClN

SMILES

CCCCN(CCCC)CCCCl

InChI

InChI=1S/C11H24ClN/c1-3-5-9-13(10-6-4-2)11-7-8-12/h3-11H2,1-2H3

InChIKey

ANLMKUQEPXRMGV-UHFFFAOYSA-N

Compound name

N-butyl-N-(3-chloropropyl)butan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 326
Patents: 205.15973 Da
Monoisotopic Mass: 3.7
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]+	206.16701	152.4
[M+Na]+	228.14895	157.7
[M-H]-	204.15245	153.0
[M+NH4]+	223.19355	172.9
[M+K]+	244.12289	155.2
[M+H-H2O]+	188.15699	147.4
[M+HCOO]-	250.15793	171.5
[M+CH3COO]-	264.17358	194.6
[M+Na-2H]-	226.13440	155.7
[M]+	205.15918	157.8
[M]-	205.16028	157.8

Literature stripe

literature stripe

Patent stripe

patents stripe