CID 45343

63917-91-9

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]+ 258.125536 158.9
[M+Na]+ 280.107478 165.6
[M-H]- 256.110984 163.3
[M+NH4]+ 275.152083 177.3
[M+K]+ 296.081418 163.0
[M+H-H2O]+ 240.115520 152.6
[M+HCOO]- 302.116461 179.6
[M+CH3COO]- 316.132111 200.6
[M+Na-2H]- 278.092926 163.3
[M]+ 257.11771142 166.1
[M]- 257.11880858 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.