CID 45616

2-methylphenoxyethyl-beta-chloroethylamine hydrochloride

Structural Information

Molecular Formula
C11H16ClNO
SMILES
CC1=CC=CC=C1OCCNCCCl
InChI
InChI=1S/C11H16ClNO/c1-10-4-2-3-5-11(10)14-9-8-13-7-6-12/h2-5,13H,6-9H2,1H3
InChIKey
RRWKWOAWYXQGNE-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-2-(2-methylphenoxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.09204 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.09932 146.6
[M+Na]+ 236.08126 154.0
[M-H]- 212.08476 149.8
[M+NH4]+ 231.12586 166.1
[M+K]+ 252.05520 150.0
[M+H-H2O]+ 196.08930 141.1
[M+HCOO]- 258.09024 167.2
[M+CH3COO]- 272.10589 189.2
[M+Na-2H]- 234.06671 152.8
[M]+ 213.09149 150.3
[M]- 213.09259 150.3
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.