CID 12853599

6,8-diazabicyclo[3.2.2]nonane-7,9-dione

Structural Information

Molecular Formula
C7H10N2O2
SMILES
C1CC2C(=O)NC(C1)C(=O)N2
InChI
InChI=1S/C7H10N2O2/c10-6-4-2-1-3-5(9-6)7(11)8-4/h4-5H,1-3H2,(H,8,11)(H,9,10)
InChIKey
XOIUKOIAFYDLGS-UHFFFAOYSA-N
Compound name
6,8-diazabicyclo[3.2.2]nonane-7,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

154.07423 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.08151 139.1
[M+Na]+ 177.06345 148.0
[M-H]- 153.06695 136.9
[M+NH4]+ 172.10805 158.4
[M+K]+ 193.03739 145.1
[M+H-H2O]+ 137.07149 138.4
[M+HCOO]- 199.07243 148.0
[M+CH3COO]- 213.08808 148.7
[M+Na-2H]- 175.04890 149.1
[M]+ 154.07368 135.6
[M]- 154.07478 135.6
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