CID 3048670

Triethylamine, 2-chloro-2'-phenoxy-, hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₈ClNO

SMILES

CCN(CCOC1=CC=CC=C1)CCCl

InChI

InChI=1S/C12H18ClNO/c1-2-14(9-8-13)10-11-15-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3

InChIKey

APOPRQNXRAFTOJ-UHFFFAOYSA-N

Compound name

N-(2-chloroethyl)-N-ethyl-2-phenoxyethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 227.1077 Da
Monoisotopic Mass: 2.9
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]+	228.114976	151.8
[M+Na]+	250.096918	158.0
[M-H]-	226.100424	155.9
[M+NH4]+	245.141523	171.1
[M+K]+	266.070858	155.0
[M+H-H2O]+	210.104960	145.6
[M+HCOO]-	272.105901	172.5
[M+CH3COO]-	286.121551	194.6
[M+Na-2H]-	248.082366	157.3
[M]+	227.10715142	156.7
[M]-	227.10824858	156.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.