CID 109056

61134-72-3

Structural Information

Molecular Formula

C₉H₁₈Cl₃N

SMILES

C(CN(CCCCl)CCCCl)CCl

InChI

InChI=1S/C9H18Cl3N/c10-4-1-7-13(8-2-5-11)9-3-6-12/h1-9H2

InChIKey

RLHMHUZPTLNGAJ-UHFFFAOYSA-N

Compound name

3-chloro-N,N-bis(3-chloropropyl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 245.05048 Da
Monoisotopic Mass: 3.1
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]+	246.05776	155.4
[M+Na]+	268.03970	161.7
[M-H]-	244.04320	154.4
[M+NH4]+	263.08430	174.3
[M+K]+	284.01364	156.8
[M+H-H2O]+	228.04774	152.0
[M+HCOO]-	290.04868	164.5
[M+CH3COO]-	304.06433	198.3
[M+Na-2H]-	266.02515	157.8
[M]+	245.04993	160.5
[M]-	245.05103	160.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe