CID 3046624

62469-21-0

Structural Information

Molecular Formula
C21H28N2
SMILES
C1CC(C(C1)NCCC(C2=CC=CC=C2)C3=CC=CC=C3)CN
InChI
InChI=1S/C21H28N2/c22-16-19-12-7-13-21(19)23-15-14-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,19-21,23H,7,12-16,22H2
InChIKey
KGINNJCVISGZNG-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-N-(3,3-diphenylpropyl)cyclopentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.22525 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.23253 175.8
[M+Na]+ 331.21447 177.3
[M-H]- 307.21797 183.4
[M+NH4]+ 326.25907 190.5
[M+K]+ 347.18841 171.7
[M+H-H2O]+ 291.22251 166.5
[M+HCOO]- 353.22345 197.5
[M+CH3COO]- 367.23910 210.6
[M+Na-2H]- 329.19992 176.0
[M]+ 308.22470 170.0
[M]- 308.22580 170.0
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.