CID 12857770

1-oxa-3-azaspiro[4.4]nonane-2,4-dione

Structural Information

Molecular Formula
C7H9NO3
SMILES
C1CCC2(C1)C(=O)NC(=O)O2
InChI
InChI=1S/C7H9NO3/c9-5-7(3-1-2-4-7)11-6(10)8-5/h1-4H2,(H,8,9,10)
InChIKey
MEZFDLNHBQSENG-UHFFFAOYSA-N
Compound name
1-oxa-3-azaspiro[4.4]nonane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

155.05824 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.06552 129.9
[M+Na]+ 178.04746 137.8
[M-H]- 154.05096 133.6
[M+NH4]+ 173.09206 153.1
[M+K]+ 194.02140 137.1
[M+H-H2O]+ 138.05550 125.5
[M+HCOO]- 200.05644 149.6
[M+CH3COO]- 214.07209 168.2
[M+Na-2H]- 176.03291 134.3
[M]+ 155.05769 125.9
[M]- 155.05879 125.9
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