CID 131620101

2,8-dioxaspiro[4.5]decane-1,4-dione

Structural Information

Molecular Formula
C8H10O4
SMILES
C1COCCC12C(=O)COC2=O
InChI
InChI=1S/C8H10O4/c9-6-5-12-7(10)8(6)1-3-11-4-2-8/h1-5H2
InChIKey
SKUIGYKVHGGEIF-UHFFFAOYSA-N
Compound name
2,8-dioxaspiro[4.5]decane-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.0579 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06518 130.9
[M+Na]+ 193.04712 138.0
[M-H]- 169.05062 137.6
[M+NH4]+ 188.09172 152.4
[M+K]+ 209.02106 139.4
[M+H-H2O]+ 153.05516 126.7
[M+HCOO]- 215.05610 150.1
[M+CH3COO]- 229.07175 173.5
[M+Na-2H]- 191.03257 137.9
[M]+ 170.05735 128.6
[M]- 170.05845 128.6
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.