CID 49657956

3-benzyl-3,9-diazabicyclo[3.3.1]nonane

Structural Information

Molecular Formula
C14H20N2
SMILES
C1CC2CN(CC(C1)N2)CC3=CC=CC=C3
InChI
InChI=1S/C14H20N2/c1-2-5-12(6-3-1)9-16-10-13-7-4-8-14(11-16)15-13/h1-3,5-6,13-15H,4,7-11H2
InChIKey
FYSCXTRDKBSUBL-UHFFFAOYSA-N
Compound name
3-benzyl-3,9-diazabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

216.16264 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.16992 152.5
[M+Na]+ 239.15186 165.2
[M+NH4]+ 234.19646 162.3
[M+K]+ 255.12580 156.6
[M-H]- 215.15536 155.8
[M+Na-2H]- 237.13731 158.3
[M]+ 216.16209 155.2
[M]- 216.16319 155.2
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

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