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

65
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 119.8
[M+Na]+ 162.08894 124.6
[M+NH4]+ 157.13354 127.0
[M+K]+ 178.06288 123.3
[M-H]- 138.09244 117.1
[M+Na-2H]- 160.07439 119.3
[M]+ 139.09917 119.6
[M]- 139.10027 119.6
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