CID 442625

Ammodendrine

Structural Information

Molecular Formula
C12H20N2O
SMILES
CC(=O)N1CCCC(=C1)[C@H]2CCCCN2
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/t12-/m1/s1
InChIKey
APKLQIQRPUDADG-GFCCVEGCSA-N
Compound name
1-[5-[(2R)-piperidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

3
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 151.3
[M+Na]+ 231.14678 154.2
[M-H]- 207.15028 152.2
[M+NH4]+ 226.19138 166.1
[M+K]+ 247.12072 151.0
[M+H-H2O]+ 191.15482 142.8
[M+HCOO]- 253.15576 164.3
[M+CH3COO]- 267.17141 183.1
[M+Na-2H]- 229.13223 152.9
[M]+ 208.15701 142.0
[M]- 208.15811 142.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.