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 141.0
[M+Na]+ 203.07909 148.7
[M-H]- 179.08259 143.0
[M+NH4]+ 198.12369 166.7
[M+K]+ 219.05303 145.3
[M+H-H2O]+ 163.08713 135.7
[M+HCOO]- 225.08807 157.9
[M+CH3COO]- 239.10372 153.1
[M+Na-2H]- 201.06454 142.6
[M]+ 180.08932 134.3
[M]- 180.09042 134.3
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.