CID 3064387

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

Structural Information

Molecular Formula
C14H27N3O
SMILES
CCN(CC)CCC(=O)N1CC2CCCC(C1)N2
InChI
InChI=1S/C14H27N3O/c1-3-16(4-2)9-8-14(18)17-10-12-6-5-7-13(11-17)15-12/h12-13,15H,3-11H2,1-2H3
InChIKey
HYSIJKPZFLJCBZ-UHFFFAOYSA-N
Compound name
1-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3-(diethylamino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.21541 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.22269 164.3
[M+Na]+ 276.20463 165.9
[M-H]- 252.20813 162.2
[M+NH4]+ 271.24923 179.5
[M+K]+ 292.17857 163.6
[M+H-H2O]+ 236.21267 156.0
[M+HCOO]- 298.21361 176.2
[M+CH3COO]- 312.22926 200.5
[M+Na-2H]- 274.19008 166.3
[M]+ 253.21486 159.5
[M]- 253.21596 159.5
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.