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

11
Patents

140.05858 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.06586 127.8
[M+Na]+ 163.04780 135.7
[M-H]- 139.05130 125.2
[M+NH4]+ 158.09240 148.8
[M+K]+ 179.02174 132.5
[M+H-H2O]+ 123.05584 122.5
[M+HCOO]- 185.05678 143.1
[M+CH3COO]- 199.07243 167.3
[M+Na-2H]- 161.03325 132.8
[M]+ 140.05803 122.0
[M]- 140.05913 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