CID 120915

3-oxetanemethylamine, 3-((2,4-dichlorophenoxy)methyl)-n,n-diethyl-, maleate

Structural Information

Molecular Formula

C₁₅H₂₁Cl₂NO₂

SMILES

CCN(CC)CC1(COC1)COC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C15H21Cl2NO2/c1-3-18(4-2)8-15(9-19-10-15)11-20-14-6-5-12(16)7-13(14)17/h5-7H,3-4,8-11H2,1-2H3

InChIKey

LLYIEQJZJHKGDY-UHFFFAOYSA-N

Compound name

N-[[3-[(2,4-dichlorophenoxy)methyl]oxetan-3-yl]methyl]-N-ethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 317.09494 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]+	318.102216	164.4
[M+Na]+	340.084158	171.1
[M-H]-	316.087664	171.6
[M+NH4]+	335.128763	175.3
[M+K]+	356.058098	170.7
[M+H-H2O]+	300.092200	154.4
[M+HCOO]-	362.093141	177.1
[M+CH3COO]-	376.108791	212.0
[M+Na-2H]-	338.069606	168.5
[M]+	317.09439142	180.0
[M]-	317.09548858	180.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.