CID 13497933

Cis-1-benzyl-2,6-dicyanopiperidine

Structural Information

Molecular Formula
C14H15N3
SMILES
C1C[C@@H](N([C@@H](C1)C#N)CC2=CC=CC=C2)C#N
InChI
InChI=1S/C14H15N3/c15-9-13-7-4-8-14(10-16)17(13)11-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-8,11H2/t13-,14+
InChIKey
HYOKFAVTFNEWSQ-OKILXGFUSA-N
Compound name
(2R,6S)-1-benzylpiperidine-2,6-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.1266 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.133876 158.5
[M+Na]+ 248.115818 167.2
[M-H]- 224.119324 161.5
[M+NH4]+ 243.160423 169.2
[M+K]+ 264.089758 161.1
[M+H-H2O]+ 208.123860 141.9
[M+HCOO]- 270.124801 167.9
[M+CH3COO]- 284.140451 164.9
[M+Na-2H]- 246.101266 159.8
[M]+ 225.12605142 147.5
[M]- 225.12714858 147.5
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

No patent data available for this compound.