CID 154733277

2,5-dioxaspiro[3.4]octan-7-one

Structural Information

Molecular Formula
C6H8O3
SMILES
C1C(=O)COC12COC2
InChI
InChI=1S/C6H8O3/c7-5-1-6(9-2-5)3-8-4-6/h1-4H2
InChIKey
UUPHZFNQKBLGRH-UHFFFAOYSA-N
Compound name
2,5-dioxaspiro[3.4]octan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

128.04735 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.054626 111.8
[M+Na]+ 151.036568 118.3
[M-H]- 127.040074 118.9
[M+NH4]+ 146.081173 128.7
[M+K]+ 167.010508 123.3
[M+H-H2O]+ 111.044610 104.2
[M+HCOO]- 173.045551 132.6
[M+CH3COO]- 187.061201 170.3
[M+Na-2H]- 149.022016 121.4
[M]+ 128.04680142 120.2
[M]- 128.04789858 120.2
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