CID 3063759

Cyclohexanemethylamine, n-(2-chloroethyl)-n-ethyl-1-phenyl-, hydrochloride

Structural Information

Molecular Formula
C17H26ClN
SMILES
CCN(CCCl)CC1(CCCCC1)C2=CC=CC=C2
InChI
InChI=1S/C17H26ClN/c1-2-19(14-13-18)15-17(11-7-4-8-12-17)16-9-5-3-6-10-16/h3,5-6,9-10H,2,4,7-8,11-15H2,1H3
InChIKey
GFKIHCHAULTCTM-UHFFFAOYSA-N
Compound name
2-chloro-N-ethyl-N-[(1-phenylcyclohexyl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.17538 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.18266 169.0
[M+Na]+ 302.16460 181.5
[M+NH4]+ 297.20920 180.5
[M+K]+ 318.13854 170.0
[M-H]- 278.16810 175.0
[M+Na-2H]- 300.15005 178.7
[M]+ 279.17483 173.1
[M]- 279.17593 173.1
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.