CID 53438844

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

Structural Information

Molecular Formula
C7H9NO2
SMILES
C1CC12CC(=O)NC(=O)C2
InChI
InChI=1S/C7H9NO2/c9-5-3-7(1-2-7)4-6(10)8-5/h1-4H2,(H,8,9,10)
InChIKey
UTFUKFWLYMWWEI-UHFFFAOYSA-N
Compound name
6-azaspiro[2.5]octane-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

139.06332 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.07060 132.9
[M+Na]+ 162.05254 142.5
[M-H]- 138.05604 137.0
[M+NH4]+ 157.09714 149.9
[M+K]+ 178.02648 140.0
[M+H-H2O]+ 122.06058 127.5
[M+HCOO]- 184.06152 151.7
[M+CH3COO]- 198.07717 172.1
[M+Na-2H]- 160.03799 139.6
[M]+ 139.06277 130.8
[M]- 139.06387 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