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
(2S,6R)-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]+ 226.13388 158.5
[M+Na]+ 248.11582 167.2
[M-H]- 224.11932 161.5
[M+NH4]+ 243.16042 169.2
[M+K]+ 264.08976 161.1
[M+H-H2O]+ 208.12386 141.9
[M+HCOO]- 270.12480 167.9
[M+CH3COO]- 284.14045 164.9
[M+Na-2H]- 246.10127 159.8
[M]+ 225.12605 147.5
[M]- 225.12715 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.