CID 14324

3-azaspiro[5.5]undecane-2,4-dione

Structural Information

Molecular Formula
C10H15NO2
SMILES
C1CCC2(CC1)CC(=O)NC(=O)C2
InChI
InChI=1S/C10H15NO2/c12-8-6-10(7-9(13)11-8)4-2-1-3-5-10/h1-7H2,(H,11,12,13)
InChIKey
FNIPRNMPSXNBDI-UHFFFAOYSA-N
Compound name
3-azaspiro[5.5]undecane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

114
Patents

181.11028 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.11756 140.9
[M+Na]+ 204.09950 145.7
[M-H]- 180.10300 142.7
[M+NH4]+ 199.14410 160.6
[M+K]+ 220.07344 142.9
[M+H-H2O]+ 164.10754 134.5
[M+HCOO]- 226.10848 155.8
[M+CH3COO]- 240.12413 175.6
[M+Na-2H]- 202.08495 145.4
[M]+ 181.10973 131.5
[M]- 181.11083 131.5
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