CID 45349

4-methylphenoxyethyl-beta-chloroethylethylamine hydrochloride

Structural Information

Molecular Formula
C13H20ClNO
SMILES
CCN(CCOC1=CC=C(C=C1)C)CCCl
InChI
InChI=1S/C13H20ClNO/c1-3-15(9-8-14)10-11-16-13-6-4-12(2)5-7-13/h4-7H,3,8-11H2,1-2H3
InChIKey
MXLYBPAWAWFNQI-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-N-ethyl-2-(4-methylphenoxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.12334 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13062 154.9
[M+Na]+ 264.11256 167.7
[M+NH4]+ 259.15716 163.9
[M+K]+ 280.08650 159.4
[M-H]- 240.11606 158.3
[M+Na-2H]- 262.09801 162.0
[M]+ 241.12279 158.0
[M]- 241.12389 158.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.