CID 45343

2-methoxyphenoxyethyl-beta-chloroethyl ethylamine hydrochloride

Structural Information

Molecular Formula
C13H20ClNO2
SMILES
CCN(CCOC1=CC=CC=C1OC)CCCl
InChI
InChI=1S/C13H20ClNO2/c1-3-15(9-8-14)10-11-17-13-7-5-4-6-12(13)16-2/h4-7H,3,8-11H2,1-2H3
InChIKey
ZHKNIHWGPVQEKT-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-N-ethyl-2-(2-methoxyphenoxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.11826 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.12554 158.9
[M+Na]+ 280.10748 165.6
[M-H]- 256.11098 163.3
[M+NH4]+ 275.15208 177.3
[M+K]+ 296.08142 163.0
[M+H-H2O]+ 240.11552 152.6
[M+HCOO]- 302.11646 179.6
[M+CH3COO]- 316.13211 200.6
[M+Na-2H]- 278.09293 163.3
[M]+ 257.11771 166.1
[M]- 257.11881 166.1
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.