CID 136843

8-azaspiro[4.5]decane-7,9-dione

Structural Information

Molecular Formula
C9H13NO2
SMILES
C1CCC2(C1)CC(=O)NC(=O)C2
InChI
InChI=1S/C9H13NO2/c11-7-5-9(3-1-2-4-9)6-8(12)10-7/h1-6H2,(H,10,11,12)
InChIKey
YRTHJMQKDCXPAY-UHFFFAOYSA-N
Compound name
8-azaspiro[4.5]decane-7,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

1079
Patents

167.09464 Da
Monoisotopic Mass

1.0
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

literature stripe

Patent stripe

patents stripe