CID 48350

N-(2-chloroethyl)-n-ethyl-4-isopropylbenzylamine hydrochloride

Structural Information

Molecular Formula
C14H22ClN
SMILES
CCN(CCCl)CC1=CC=C(C=C1)C(C)C
InChI
InChI=1S/C14H22ClN/c1-4-16(10-9-15)11-13-5-7-14(8-6-13)12(2)3/h5-8,12H,4,9-11H2,1-3H3
InChIKey
KLXJACXCZDWUEK-UHFFFAOYSA-N
Compound name
2-chloro-N-ethyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.14407 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.15135 157.8
[M+Na]+ 262.13329 163.9
[M-H]- 238.13679 162.0
[M+NH4]+ 257.17789 176.9
[M+K]+ 278.10723 160.4
[M+H-H2O]+ 222.14133 151.8
[M+HCOO]- 284.14227 176.6
[M+CH3COO]- 298.15792 200.6
[M+Na-2H]- 260.11874 160.3
[M]+ 239.14352 161.8
[M]- 239.14462 161.8
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.