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]+ 129.05463 111.8
[M+Na]+ 151.03657 118.3
[M-H]- 127.04007 118.9
[M+NH4]+ 146.08117 128.7
[M+K]+ 167.01051 123.3
[M+H-H2O]+ 111.04461 104.2
[M+HCOO]- 173.04555 132.6
[M+CH3COO]- 187.06120 170.3
[M+Na-2H]- 149.02202 121.4
[M]+ 128.04680 120.2
[M]- 128.04790 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