CID 155820265

7-oxa-5-azaspiro[3.4]octane-2,6-dione

Structural Information

Molecular Formula
C6H7NO3
SMILES
C1C(=O)CC12COC(=O)N2
InChI
InChI=1S/C6H7NO3/c8-4-1-6(2-4)3-10-5(9)7-6/h1-3H2,(H,7,9)
InChIKey
ATRNNGNCUHPPSG-UHFFFAOYSA-N
Compound name
7-oxa-5-azaspiro[3.4]octane-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.04259 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.049866 119.1
[M+Na]+ 164.031808 126.2
[M-H]- 140.035314 123.1
[M+NH4]+ 159.076413 134.9
[M+K]+ 180.005748 128.7
[M+H-H2O]+ 124.039850 110.3
[M+HCOO]- 186.040791 138.1
[M+CH3COO]- 200.056441 170.4
[M+Na-2H]- 162.017256 126.1
[M]+ 141.04204142 125.3
[M]- 141.04313858 125.3
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

No patent data available for this compound.