CID 54593243

3-phenyl-2-(piperidin-4-yl)propan-1-amine dihydrochloride

Structural Information

Molecular Formula
C14H22N2
SMILES
C1CNCCC1C(CC2=CC=CC=C2)CN
InChI
InChI=1S/C14H22N2/c15-11-14(13-6-8-16-9-7-13)10-12-4-2-1-3-5-12/h1-5,13-14,16H,6-11,15H2
InChIKey
GOSJQQCNDGBFAB-UHFFFAOYSA-N
Compound name
3-phenyl-2-piperidin-4-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.1783 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.18558 153.2
[M+Na]+ 241.16752 155.1
[M-H]- 217.17102 154.9
[M+NH4]+ 236.21212 168.2
[M+K]+ 257.14146 150.8
[M+H-H2O]+ 201.17556 144.9
[M+HCOO]- 263.17650 169.8
[M+CH3COO]- 277.19215 188.2
[M+Na-2H]- 239.15297 156.0
[M]+ 218.17775 144.3
[M]- 218.17885 144.3
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.