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]+ 142.04987 126.8
[M+Na]+ 164.03181 131.9
[M+NH4]+ 159.07641 131.6
[M+K]+ 180.00575 130.1
[M-H]- 140.03531 125.1
[M+Na-2H]- 162.01726 128.7
[M]+ 141.04204 125.6
[M]- 141.04314 125.6
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.