CID 3042202

Cyclopentylamine, n-(3,3-diphenylpropyl)-, hydrochloride

Structural Information

Molecular Formula
C20H25N
SMILES
C1CCC(C1)NCCC(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H25N/c1-3-9-17(10-4-1)20(18-11-5-2-6-12-18)15-16-21-19-13-7-8-14-19/h1-6,9-12,19-21H,7-8,13-16H2
InChIKey
VMRFYXDRVGAWII-UHFFFAOYSA-N
Compound name
N-(3,3-diphenylpropyl)cyclopentanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.1987 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.20598 168.6
[M+Na]+ 302.18792 170.5
[M-H]- 278.19142 176.6
[M+NH4]+ 297.23252 184.8
[M+K]+ 318.16186 165.4
[M+H-H2O]+ 262.19596 159.6
[M+HCOO]- 324.19690 190.2
[M+CH3COO]- 338.21255 178.6
[M+Na-2H]- 300.17337 170.3
[M]+ 279.19815 163.6
[M]- 279.19925 163.6
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.