CID 2771934

6,10-dioxaspiro[4.5]decane-7,9-dione

Structural Information

Molecular Formula
C8H10O4
SMILES
C1CCC2(C1)OC(=O)CC(=O)O2
InChI
InChI=1S/C8H10O4/c9-6-5-7(10)12-8(11-6)3-1-2-4-8/h1-5H2
InChIKey
FZGZIHCGKPRSLO-UHFFFAOYSA-N
Compound name
6,10-dioxaspiro[4.5]decane-7,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

170.0579 Da
Monoisotopic Mass

1.1
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

literature stripe

Patent stripe

patents stripe