CID 117796244

6-azabicyclo[3.2.1]octane-2,7-dione

Structural Information

Molecular Formula
C7H9NO2
SMILES
C1CC(=O)C2CC1NC2=O
InChI
InChI=1S/C7H9NO2/c9-6-2-1-4-3-5(6)7(10)8-4/h4-5H,1-3H2,(H,8,10)
InChIKey
SXUUIKNYCYOWKO-UHFFFAOYSA-N
Compound name
6-azabicyclo[3.2.1]octane-2,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

139.06332 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.07060 126.6
[M+Na]+ 162.05254 134.5
[M-H]- 138.05604 126.8
[M+NH4]+ 157.09714 149.8
[M+K]+ 178.02648 132.0
[M+H-H2O]+ 122.06058 121.9
[M+HCOO]- 184.06152 144.5
[M+CH3COO]- 198.07717 170.0
[M+Na-2H]- 160.03799 131.8
[M]+ 139.06277 122.5
[M]- 139.06387 122.5
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