CID 18615803

3-azabicyclo[4.2.1]nonan-4-one

Structural Information

Molecular Formula
C8H13NO
SMILES
C1CC2CC1CC(=O)NC2
InChI
InChI=1S/C8H13NO/c10-8-4-6-1-2-7(3-6)5-9-8/h6-7H,1-5H2,(H,9,10)
InChIKey
FKQZRCQWFKNJIL-UHFFFAOYSA-N
Compound name
3-azabicyclo[4.2.1]nonan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
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 125.8
[M+Na]+ 162.08894 133.4
[M+NH4]+ 157.13354 134.0
[M+K]+ 178.06288 131.1
[M-H]- 138.09244 125.5
[M+Na-2H]- 160.07439 128.2
[M]+ 139.09917 126.5
[M]- 139.10027 126.5
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