CID 57795510

2-azaspiro[4.5]decane-3,8-dione

Structural Information

Molecular Formula
C9H13NO2
SMILES
C1CC2(CCC1=O)CC(=O)NC2
InChI
InChI=1S/C9H13NO2/c11-7-1-3-9(4-2-7)5-8(12)10-6-9/h1-6H2,(H,10,12)
InChIKey
VDCZRVJPEUWFMI-UHFFFAOYSA-N
Compound name
2-azaspiro[4.5]decane-3,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

167.09464 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.101916 136.7
[M+Na]+ 190.083858 142.9
[M-H]- 166.087364 139.1
[M+NH4]+ 185.128463 159.0
[M+K]+ 206.057798 140.2
[M+H-H2O]+ 150.091900 131.0
[M+HCOO]- 212.092841 154.2
[M+CH3COO]- 226.108491 172.1
[M+Na-2H]- 188.069306 140.3
[M]+ 167.09409142 129.1
[M]- 167.09518858 129.1
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