CID 457610

90390-26-4

Structural Information

Molecular Formula

C₁₄H₂₁Cl₂N

SMILES

CCCCCCCNCC1=CC(=CC(=C1)Cl)Cl

InChI

InChI=1S/C14H21Cl2N/c1-2-3-4-5-6-7-17-11-12-8-13(15)10-14(16)9-12/h8-10,17H,2-7,11H2,1H3

InChIKey

MGWUEURXLRWRGH-UHFFFAOYSA-N

Compound name

N-[(3,5-dichlorophenyl)methyl]heptan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 273.1051 Da
Monoisotopic Mass: 5.4
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]+	274.11238	163.7
[M+Na]+	296.09432	171.1
[M-H]-	272.09782	165.8
[M+NH4]+	291.13892	181.5
[M+K]+	312.06826	164.3
[M+H-H2O]+	256.10236	158.6
[M+HCOO]-	318.10330	177.8
[M+CH3COO]-	332.11895	201.8
[M+Na-2H]-	294.07977	166.6
[M]+	273.10455	168.3
[M]-	273.10565	168.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.