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 156.9
[M+Na]+ 262.13329 169.6
[M+NH4]+ 257.17789 166.2
[M+K]+ 278.10723 161.3
[M-H]- 238.13679 160.6
[M+Na-2H]- 260.11874 163.8
[M]+ 239.14352 160.1
[M]- 239.14462 160.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.