CID 59558338

4-azaspiro[2.5]octane-5,7-dione

Structural Information

Molecular Formula
C7H9NO2
SMILES
C1CC12CC(=O)CC(=O)N2
InChI
InChI=1S/C7H9NO2/c9-5-3-6(10)8-7(4-5)1-2-7/h1-4H2,(H,8,10)
InChIKey
QIUDDRZYNHAITK-UHFFFAOYSA-N
Compound name
4-azaspiro[2.5]octane-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

139.06332 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.07060 132.3
[M+Na]+ 162.05254 144.6
[M+NH4]+ 157.09714 142.3
[M+K]+ 178.02648 138.8
[M-H]- 138.05604 140.4
[M+Na-2H]- 160.03799 140.8
[M]+ 139.06277 137.4
[M]- 139.06387 137.4
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