CID 214144

27778-80-9

Structural Information

Molecular Formula

C₁₆H₂₆ClNO

SMILES

CCC(C)C(CN(C)C)C1=CC(=C(C=C1)OCC)Cl

InChI

InChI=1S/C16H26ClNO/c1-6-12(3)14(11-18(4)5)13-8-9-16(19-7-2)15(17)10-13/h8-10,12,14H,6-7,11H2,1-5H3

InChIKey

DYGSHKTZVHORCX-UHFFFAOYSA-N

Compound name

2-(3-chloro-4-ethoxyphenyl)-N,N,3-trimethylpentan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 283.1703 Da
Monoisotopic Mass: 4.9
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]+	284.177576	169.4
[M+Na]+	306.159518	175.3
[M-H]-	282.163024	173.8
[M+NH4]+	301.204123	187.0
[M+K]+	322.133458	172.4
[M+H-H2O]+	266.167560	163.3
[M+HCOO]-	328.168501	186.9
[M+CH3COO]-	342.184151	210.5
[M+Na-2H]-	304.144966	169.0
[M]+	283.16975142	175.5
[M]-	283.17084858	175.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.