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 168.9
[M+Na]+ 302.16460 172.1
[M-H]- 278.16810 174.9
[M+NH4]+ 297.20920 187.4
[M+K]+ 318.13854 167.7
[M+H-H2O]+ 262.17264 161.6
[M+HCOO]- 324.17358 184.9
[M+CH3COO]- 338.18923 203.6
[M+Na-2H]- 300.15005 172.2
[M]+ 279.17483 167.6
[M]- 279.17593 167.6
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.