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

20
Patents

154.07423 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.081506 139.1
[M+Na]+ 177.063448 148.0
[M-H]- 153.066954 136.9
[M+NH4]+ 172.108053 158.4
[M+K]+ 193.037388 145.1
[M+H-H2O]+ 137.071490 138.4
[M+HCOO]- 199.072431 148.0
[M+CH3COO]- 213.088081 148.7
[M+Na-2H]- 175.048896 149.1
[M]+ 154.07368142 135.6
[M]- 154.07477858 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