CID 217774

39617-54-4

Structural Information

Molecular Formula
C18H20ClN
SMILES
CNC1CCC(C1)(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H20ClN/c1-20-17-11-12-18(13-17,14-5-3-2-4-6-14)15-7-9-16(19)10-8-15/h2-10,17,20H,11-13H2,1H3
InChIKey
MGHUMNKLBYFTQI-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-N-methyl-3-phenylcyclopentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

285.12842 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.13570 168.0
[M+Na]+ 308.11764 175.0
[M-H]- 284.12114 177.3
[M+NH4]+ 303.16224 187.7
[M+K]+ 324.09158 168.1
[M+H-H2O]+ 268.12568 160.6
[M+HCOO]- 330.12662 186.8
[M+CH3COO]- 344.14227 179.7
[M+Na-2H]- 306.10309 170.9
[M]+ 285.12787 166.4
[M]- 285.12897 166.4
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

patents stripe