CID 121481

3-oxetanemethylamine, 3-((p-chlorophenoxy)methyl)-n,n-diethyl-, maleate

Structural Information

Molecular Formula

C₁₅H₂₂ClNO₂

SMILES

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

InChI

InChI=1S/C15H22ClNO2/c1-3-17(4-2)9-15(10-18-11-15)12-19-14-7-5-13(16)6-8-14/h5-8H,3-4,9-12H2,1-2H3

InChIKey

NIARRRHBLJAERV-UHFFFAOYSA-N

Compound name

N-[[3-[(4-chlorophenoxy)methyl]oxetan-3-yl]methyl]-N-ethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 283.1339 Da
Monoisotopic Mass: 3.0
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]+	284.141176	161.4
[M+Na]+	306.123118	166.6
[M-H]-	282.126624	169.1
[M+NH4]+	301.167723	172.8
[M+K]+	322.097058	167.8
[M+H-H2O]+	266.131160	150.2
[M+HCOO]-	328.132101	178.9
[M+CH3COO]-	342.147751	206.8
[M+Na-2H]-	304.108566	166.6
[M]+	283.13335142	175.7
[M]-	283.13444858	175.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.