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

56
Patents

167.09464 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.10192 136.7
[M+Na]+ 190.08386 142.9
[M-H]- 166.08736 139.1
[M+NH4]+ 185.12846 159.0
[M+K]+ 206.05780 140.2
[M+H-H2O]+ 150.09190 131.0
[M+HCOO]- 212.09284 154.2
[M+CH3COO]- 226.10849 172.1
[M+Na-2H]- 188.06931 140.3
[M]+ 167.09409 129.1
[M]- 167.09519 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