CID 46227

2-chloro-n-(p-ethylbenzyl)diethylamine hydrochloride

Structural Information

Molecular Formula
C13H20ClN
SMILES
CCC1=CC=C(C=C1)CN(CC)CCCl
InChI
InChI=1S/C13H20ClN/c1-3-12-5-7-13(8-6-12)11-15(4-2)10-9-14/h5-8H,3-4,9-11H2,1-2H3
InChIKey
JIYGIHOZWLUFHS-UHFFFAOYSA-N
Compound name
2-chloro-N-ethyl-N-[(4-ethylphenyl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.12843 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.13571 153.0
[M+Na]+ 248.11765 159.7
[M-H]- 224.12115 157.3
[M+NH4]+ 243.16225 172.7
[M+K]+ 264.09159 156.1
[M+H-H2O]+ 208.12569 147.1
[M+HCOO]- 270.12663 173.2
[M+CH3COO]- 284.14228 196.7
[M+Na-2H]- 246.10310 157.3
[M]+ 225.12788 157.3
[M]- 225.12898 157.3
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.