CID 79720

6,6-dimethyl-5,7-dioxaspiro[2.5]octane-4,8-dione

Structural Information

Molecular Formula
C8H10O4
SMILES
CC1(OC(=O)C2(CC2)C(=O)O1)C
InChI
InChI=1S/C8H10O4/c1-7(2)11-5(9)8(3-4-8)6(10)12-7/h3-4H2,1-2H3
InChIKey
AXJVPXNVESYGDT-UHFFFAOYSA-N
Compound name
6,6-dimethyl-5,7-dioxaspiro[2.5]octane-4,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

274
Patents

170.0579 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06518 133.9
[M+Na]+ 193.04712 145.2
[M-H]- 169.05062 142.8
[M+NH4]+ 188.09172 151.5
[M+K]+ 209.02106 147.7
[M+H-H2O]+ 153.05516 130.1
[M+HCOO]- 215.05610 152.8
[M+CH3COO]- 229.07175 180.1
[M+Na-2H]- 191.03257 143.6
[M]+ 170.05735 138.8
[M]- 170.05845 138.8
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