CID 44630604

(3r,4r)-1-benzyl-n,4-dimethylpiperidin-3-amine

Structural Information

Molecular Formula
C14H22N2
SMILES
C[C@@H]1CCN(C[C@@H]1NC)CC2=CC=CC=C2
InChI
InChI=1S/C14H22N2/c1-12-8-9-16(11-14(12)15-2)10-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3/t12-,14+/m1/s1
InChIKey
NVKDDQBZODSEIN-OCCSQVGLSA-N
Compound name
(3R,4R)-1-benzyl-N,4-dimethylpiperidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

220
Patents

218.1783 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.18558 152.5
[M+Na]+ 241.16752 157.1
[M-H]- 217.17102 156.9
[M+NH4]+ 236.21212 169.3
[M+K]+ 257.14146 153.6
[M+H-H2O]+ 201.17556 144.2
[M+HCOO]- 263.17650 172.3
[M+CH3COO]- 277.19215 192.8
[M+Na-2H]- 239.15297 156.6
[M]+ 218.17775 147.8
[M]- 218.17885 147.8
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