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

55
Patents

216.16264 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.169916 150.0
[M+Na]+ 239.151858 154.0
[M-H]- 215.155364 152.4
[M+NH4]+ 234.196463 167.1
[M+K]+ 255.125798 152.1
[M+H-H2O]+ 199.159900 142.3
[M+HCOO]- 261.160841 164.7
[M+CH3COO]- 275.176491 159.9
[M+Na-2H]- 237.137306 153.7
[M]+ 216.16209142 141.8
[M]- 216.16318858 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