CID 20239031

2-azabicyclo[3.2.2]nonan-3-one

Structural Information

Molecular Formula
C8H13NO
SMILES
C1CC2CCC1CC(=O)N2
InChI
InChI=1S/C8H13NO/c10-8-5-6-1-3-7(9-8)4-2-6/h6-7H,1-5H2,(H,9,10)
InChIKey
USEQGBOOQRRTSE-UHFFFAOYSA-N
Compound name
2-azabicyclo[3.2.2]nonan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

139.09972 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 135.9
[M+Na]+ 162.088938 143.7
[M-H]- 138.092444 135.5
[M+NH4]+ 157.133543 157.1
[M+K]+ 178.062878 140.6
[M+H-H2O]+ 122.096980 136.8
[M+HCOO]- 184.097921 146.4
[M+CH3COO]- 198.113571 146.2
[M+Na-2H]- 160.074386 146.3
[M]+ 139.09917142 132.7
[M]- 139.10026858 132.7
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