CID 121207147

6-azaspiro[3.4]octane-2,5-dione

Structural Information

Molecular Formula
C7H9NO2
SMILES
C1CNC(=O)C12CC(=O)C2
InChI
InChI=1S/C7H9NO2/c9-5-3-7(4-5)1-2-8-6(7)10/h1-4H2,(H,8,10)
InChIKey
UZZSKGIHKCJBDB-UHFFFAOYSA-N
Compound name
6-azaspiro[3.4]octane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

139.06332 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.07060 123.8
[M+Na]+ 162.05254 130.6
[M-H]- 138.05604 127.1
[M+NH4]+ 157.09714 140.9
[M+K]+ 178.02648 131.4
[M+H-H2O]+ 122.06058 114.8
[M+HCOO]- 184.06152 143.1
[M+CH3COO]- 198.07717 171.3
[M+Na-2H]- 160.03799 129.0
[M]+ 139.06277 128.3
[M]- 139.06387 128.3
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

patents stripe