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 126.9
[M+Na]+ 162.08894 131.7
[M-H]- 138.09244 128.0
[M+NH4]+ 157.13354 148.3
[M+K]+ 178.06288 132.1
[M+H-H2O]+ 122.09698 122.1
[M+HCOO]- 184.09792 143.5
[M+CH3COO]- 198.11357 138.8
[M+Na-2H]- 160.07439 131.8
[M]+ 139.09917 119.0
[M]- 139.10027 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