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

10
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 126.9
[M+Na]+ 162.088938 131.7
[M-H]- 138.092444 128.0
[M+NH4]+ 157.133543 148.3
[M+K]+ 178.062878 132.1
[M+H-H2O]+ 122.096980 122.1
[M+HCOO]- 184.097921 143.5
[M+CH3COO]- 198.113571 138.8
[M+Na-2H]- 160.074386 131.8
[M]+ 139.09917142 119.0
[M]- 139.10026858 119.0
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