CID 18365475

200484-41-9

Structural Information

Molecular Formula

C₁₂H₁₈ClNO

SMILES

C1=CC(=CC=C1OCCCCCCN)Cl

InChI

InChI=1S/C12H18ClNO/c13-11-5-7-12(8-6-11)15-10-4-2-1-3-9-14/h5-8H,1-4,9-10,14H2

InChIKey

LTUFMALBFAADRT-UHFFFAOYSA-N

Compound name

6-(4-chlorophenoxy)hexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 227.1077 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]+	228.114976	151.7
[M+Na]+	250.096918	158.6
[M-H]-	226.100424	154.1
[M+NH4]+	245.141523	170.4
[M+K]+	266.070858	154.0
[M+H-H2O]+	210.104960	146.0
[M+HCOO]-	272.105901	171.3
[M+CH3COO]-	286.121551	191.5
[M+Na-2H]-	248.082366	156.2
[M]+	227.10715142	154.7
[M]-	227.10824858	154.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe