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]+ 140.070596 126.6
[M+Na]+ 162.052538 134.5
[M-H]- 138.056044 126.8
[M+NH4]+ 157.097143 149.8
[M+K]+ 178.026478 132.0
[M+H-H2O]+ 122.060580 121.9
[M+HCOO]- 184.061521 144.5
[M+CH3COO]- 198.077171 170.0
[M+Na-2H]- 160.037986 131.8
[M]+ 139.06277142 122.5
[M]- 139.06386858 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