CID 58489917

9-azabicyclo[3.3.1]nonane n-oxyl

Structural Information

Molecular Formula
C8H15NO
SMILES
C1CC2CCCC(C1)N2O
InChI
InChI=1S/C8H15NO/c10-9-7-3-1-4-8(9)6-2-5-7/h7-8,10H,1-6H2
InChIKey
WUXMSJQQHBZNIK-UHFFFAOYSA-N
Compound name
9-hydroxy-9-azabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

374
Patents

141.11537 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 130.1
[M+Na]+ 164.10459 140.7
[M+NH4]+ 159.14919 139.9
[M+K]+ 180.07853 134.4
[M-H]- 140.10809 131.2
[M+Na-2H]- 162.09004 133.3
[M]+ 141.11482 131.7
[M]- 141.11592 131.7
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