CID 3038998

Triethylamine, 2-chloro-2'-(2,6-xylyloxy)-, hydrochloride

Structural Information

Molecular Formula

C₁₄H₂₂ClNO

SMILES

CCN(CCOC1=C(C=CC=C1C)C)CCCl

InChI

InChI=1S/C14H22ClNO/c1-4-16(9-8-15)10-11-17-14-12(2)6-5-7-13(14)3/h5-7H,4,8-11H2,1-3H3

InChIKey

RFYCFAGKUKDZGR-UHFFFAOYSA-N

Compound name

N-(2-chloroethyl)-2-(2,6-dimethylphenoxy)-N-ethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 255.13899 Da
Monoisotopic Mass: 3.6
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]+	256.146266	160.3
[M+Na]+	278.128208	167.5
[M-H]-	254.131714	164.9
[M+NH4]+	273.172813	179.1
[M+K]+	294.102148	164.2
[M+H-H2O]+	238.136250	154.2
[M+HCOO]-	300.137191	180.4
[M+CH3COO]-	314.152841	202.8
[M+Na-2H]-	276.113656	163.4
[M]+	255.13844142	166.8
[M]-	255.13953858	166.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.