CID 3064418

1-(9-methyl-3,9-diazabicyclo(3.3.1)non-3-yl)-3-piperidino-1-propanone dihydrochloride

Structural Information

Molecular Formula
C16H29N3O
SMILES
CN1C2CCCC1CN(C2)C(=O)CCN3CCCCC3
InChI
InChI=1S/C16H29N3O/c1-17-14-6-5-7-15(17)13-19(12-14)16(20)8-11-18-9-3-2-4-10-18/h14-15H,2-13H2,1H3
InChIKey
JOXUCKAIPZJWGI-UHFFFAOYSA-N
Compound name
1-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.23105 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.23833 172.6
[M+Na]+ 302.22027 173.6
[M-H]- 278.22377 171.5
[M+NH4]+ 297.26487 185.2
[M+K]+ 318.19421 169.9
[M+H-H2O]+ 262.22831 162.2
[M+HCOO]- 324.22925 179.4
[M+CH3COO]- 338.24490 201.6
[M+Na-2H]- 300.20572 172.6
[M]+ 279.23050 163.7
[M]- 279.23160 163.7
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.