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

67
Patents

139.09972 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.10700 135.9
[M+Na]+ 162.08894 143.7
[M-H]- 138.09244 135.5
[M+NH4]+ 157.13354 157.1
[M+K]+ 178.06288 140.6
[M+H-H2O]+ 122.09698 136.8
[M+HCOO]- 184.09792 146.4
[M+CH3COO]- 198.11357 146.2
[M+Na-2H]- 160.07439 146.3
[M]+ 139.09917 132.7
[M]- 139.10027 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