CID 22057906

9-benzyl-3,9-diazabicyclo[4.2.1]nonane

Structural Information

Molecular Formula
C14H20N2
SMILES
C1CC2CNCCC1N2CC3=CC=CC=C3
InChI
InChI=1S/C14H20N2/c1-2-4-12(5-3-1)11-16-13-6-7-14(16)10-15-9-8-13/h1-5,13-15H,6-11H2
InChIKey
WJNTXJZFBOWQPF-UHFFFAOYSA-N
Compound name
9-benzyl-3,9-diazabicyclo[4.2.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
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 150.0
[M+Na]+ 239.15186 154.0
[M-H]- 215.15536 152.4
[M+NH4]+ 234.19646 167.1
[M+K]+ 255.12580 152.1
[M+H-H2O]+ 199.15990 142.3
[M+HCOO]- 261.16084 164.7
[M+CH3COO]- 275.17649 159.9
[M+Na-2H]- 237.13731 153.7
[M]+ 216.16209 141.8
[M]- 216.16319 141.8
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

patents stripe