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]+ 238.13571 156.1
[M+Na]+ 260.11765 160.2
[M-H]- 236.12115 160.8
[M+NH4]+ 255.16225 173.6
[M+K]+ 276.09159 155.0
[M+H-H2O]+ 220.12569 149.5
[M+HCOO]- 282.12663 170.9
[M+CH3COO]- 296.14228 193.0
[M+Na-2H]- 258.10310 157.9
[M]+ 237.12788 151.0
[M]- 237.12898 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.