CID 50989610

2-(4-chlorophenyl)-1-cyclohexylethan-1-amine

Structural Information

Molecular Formula
C14H20ClN
SMILES
C1CCC(CC1)C(CC2=CC=C(C=C2)Cl)N
InChI
InChI=1S/C14H20ClN/c15-13-8-6-11(7-9-13)10-14(16)12-4-2-1-3-5-12/h6-9,12,14H,1-5,10,16H2
InChIKey
HPQHKFRYWGPIRF-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-1-cyclohexylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.12843 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.135706 156.1
[M+Na]+ 260.117648 160.2
[M-H]- 236.121154 160.8
[M+NH4]+ 255.162253 173.6
[M+K]+ 276.091588 155.0
[M+H-H2O]+ 220.125690 149.5
[M+HCOO]- 282.126631 170.9
[M+CH3COO]- 296.142281 193.0
[M+Na-2H]- 258.103096 157.9
[M]+ 237.12788142 151.0
[M]- 237.12897858 151.0
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.