CID 9240

3-azabicyclo[3.2.2]nonane

Structural Information

Molecular Formula
C8H15N
SMILES
C1CC2CCC1CNC2
InChI
InChI=1S/C8H15N/c1-2-8-4-3-7(1)5-9-6-8/h7-9H,1-6H2
InChIKey
LICHZOBEUWVYSY-UHFFFAOYSA-N
Compound name
3-azabicyclo[3.2.2]nonane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2458
Patents

125.12045 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.127726 133.2
[M+Na]+ 148.109668 140.1
[M-H]- 124.113174 132.5
[M+NH4]+ 143.154273 154.7
[M+K]+ 164.083608 136.7
[M+H-H2O]+ 108.117710 133.9
[M+HCOO]- 170.118651 143.5
[M+CH3COO]- 184.134301 143.3
[M+Na-2H]- 146.095116 144.1
[M]+ 125.11990142 129.1
[M]- 125.12099858 129.1
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

patents stripe