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

38
Patents

139.06332 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.070596 132.9
[M+Na]+ 162.052538 142.5
[M-H]- 138.056044 137.0
[M+NH4]+ 157.097143 149.9
[M+K]+ 178.026478 140.0
[M+H-H2O]+ 122.060580 127.5
[M+HCOO]- 184.061521 151.7
[M+CH3COO]- 198.077171 172.1
[M+Na-2H]- 160.037986 139.6
[M]+ 139.06277142 130.8
[M]- 139.06386858 130.8
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