CID 279581

2-azaspiro[4.5]decane-1,3-dione

Structural Information

Molecular Formula
C9H13NO2
SMILES
C1CCC2(CC1)CC(=O)NC2=O
InChI
InChI=1S/C9H13NO2/c11-7-6-9(8(12)10-7)4-2-1-3-5-9/h1-6H2,(H,10,11,12)
InChIKey
BBZBYWMNNPPFKA-UHFFFAOYSA-N
Compound name
2-azaspiro[4.5]decane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

37
Patents

167.09464 Da
Monoisotopic Mass

0.9
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

literature stripe

Patent stripe

patents stripe