CID 45341

Ethylamine, n-(2-chloroethyl)-n-(2-ethylphenoxyethyl)-, hydrochloride

Structural Information

Molecular Formula
C14H22ClNO
SMILES
CCC1=CC(=CC=C1)OCCN(CC)CCCl
InChI
InChI=1S/C14H22ClNO/c1-3-13-6-5-7-14(12-13)17-11-10-16(4-2)9-8-15/h5-7,12H,3-4,8-11H2,1-2H3
InChIKey
VMWPHMIVWUSYIN-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-N-ethyl-2-(3-ethylphenoxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.13899 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.14627 160.8
[M+Na]+ 278.12821 167.1
[M-H]- 254.13171 164.9
[M+NH4]+ 273.17281 179.3
[M+K]+ 294.10215 163.7
[M+H-H2O]+ 238.13625 154.4
[M+HCOO]- 300.13719 180.9
[M+CH3COO]- 314.15284 201.6
[M+Na-2H]- 276.11366 164.5
[M]+ 255.13844 166.9
[M]- 255.13954 166.9
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.