CID 108191

Ammodendrine

Structural Information

Molecular Formula
C12H20N2O
SMILES
CC(=O)N1CCCC(=C1)C2CCCCN2
InChI
InChI=1S/C12H20N2O/c1-10(15)14-8-4-5-11(9-14)12-6-2-3-7-13-12/h9,12-13H,2-8H2,1H3
InChIKey
APKLQIQRPUDADG-UHFFFAOYSA-N
Compound name
1-(5-piperidin-2-yl-3,4-dihydro-2H-pyridin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

11
Patents

208.15756 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.16484 151.5
[M+Na]+ 231.14678 161.8
[M+NH4]+ 226.19138 159.2
[M+K]+ 247.12072 155.7
[M-H]- 207.15028 153.5
[M+Na-2H]- 229.13223 156.4
[M]+ 208.15701 153.2
[M]- 208.15811 153.2
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