CID 138007155

2241140-78-1

Structural Information

Molecular Formula
C9H12N2O2
SMILES
C1CC23CNCC2(C1)C(=O)NC3=O
InChI
InChI=1S/C9H12N2O2/c12-6-8-2-1-3-9(8,5-10-4-8)7(13)11-6/h10H,1-5H2,(H,11,12,13)
InChIKey
WGFAIWKHAJZAHR-UHFFFAOYSA-N
Compound name
3,7-diazatricyclo[3.3.3.01,5]undecane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.08987 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.09715 140.9
[M+Na]+ 203.07909 147.3
[M+NH4]+ 198.12369 150.9
[M+K]+ 219.05303 144.9
[M-H]- 179.08259 139.9
[M+Na-2H]- 201.06454 144.4
[M]+ 180.08932 141.2
[M]- 180.09042 141.2
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

No patent data available for this compound.