CID 83680491

9-oxa-1-azaspiro[5.5]undecane-2,4-dione

Structural Information

Molecular Formula
C9H13NO3
SMILES
C1COCCC12CC(=O)CC(=O)N2
InChI
InChI=1S/C9H13NO3/c11-7-5-8(12)10-9(6-7)1-3-13-4-2-9/h1-6H2,(H,10,12)
InChIKey
HDGPSKGOBHFMMS-UHFFFAOYSA-N
Compound name
9-oxa-1-azaspiro[5.5]undecane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

183.08954 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.09682 138.6
[M+Na]+ 206.07876 143.9
[M-H]- 182.08226 141.3
[M+NH4]+ 201.12336 157.0
[M+K]+ 222.05270 142.9
[M+H-H2O]+ 166.08680 132.3
[M+HCOO]- 228.08774 153.2
[M+CH3COO]- 242.10339 174.8
[M+Na-2H]- 204.06421 144.8
[M]+ 183.08899 131.1
[M]- 183.09009 131.1
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