CID 55286252

3,8-diazabicyclo[3.2.1]octane-2,4-dione

Structural Information

Molecular Formula
C6H8N2O2
SMILES
C1CC2C(=O)NC(=O)C1N2
InChI
InChI=1S/C6H8N2O2/c9-5-3-1-2-4(7-3)6(10)8-5/h3-4,7H,1-2H2,(H,8,9,10)
InChIKey
WBKAUNHCLBEXAX-UHFFFAOYSA-N
Compound name
3,8-diazabicyclo[3.2.1]octane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

140.05858 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.065856 127.8
[M+Na]+ 163.047798 135.7
[M-H]- 139.051304 125.2
[M+NH4]+ 158.092403 148.8
[M+K]+ 179.021738 132.5
[M+H-H2O]+ 123.055840 122.5
[M+HCOO]- 185.056781 143.1
[M+CH3COO]- 199.072431 167.3
[M+Na-2H]- 161.033246 132.8
[M]+ 140.05803142 122.0
[M]- 140.05912858 122.0
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