CID 2779831

2-(4-benzylpiperidin-1-yl)ethan-1-amine

Structural Information

Molecular Formula
C14H22N2
SMILES
C1CN(CCC1CC2=CC=CC=C2)CCN
InChI
InChI=1S/C14H22N2/c15-8-11-16-9-6-14(7-10-16)12-13-4-2-1-3-5-13/h1-5,14H,6-12,15H2
InChIKey
PCNDXYHWLSHXMV-UHFFFAOYSA-N
Compound name
2-(4-benzylpiperidin-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

99
Patents

218.1783 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.18558 152.8
[M+Na]+ 241.16752 156.4
[M-H]- 217.17102 156.2
[M+NH4]+ 236.21212 169.0
[M+K]+ 257.14146 152.5
[M+H-H2O]+ 201.17556 144.3
[M+HCOO]- 263.17650 171.9
[M+CH3COO]- 277.19215 191.0
[M+Na-2H]- 239.15297 156.5
[M]+ 218.17775 146.7
[M]- 218.17885 146.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe