CID 504291

(8,8-dimethyl-3,7,9-trioxaspiro[4.4]nonan-2-yl) acetate

Structural Information

Molecular Formula
C10H16O5
SMILES
CC(=O)OC1CC2(CO1)COC(O2)(C)C
InChI
InChI=1S/C10H16O5/c1-7(11)14-8-4-10(5-12-8)6-13-9(2,3)15-10/h8H,4-6H2,1-3H3
InChIKey
ABURSRVNYJQLAY-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-8-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

216.09978 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.10706 143.0
[M+Na]+ 239.08900 150.4
[M-H]- 215.09250 150.5
[M+NH4]+ 234.13360 165.2
[M+K]+ 255.06294 153.8
[M+H-H2O]+ 199.09704 141.0
[M+HCOO]- 261.09798 161.6
[M+CH3COO]- 275.11363 182.9
[M+Na-2H]- 237.07445 149.0
[M]+ 216.09923 146.0
[M]- 216.10033 146.0
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.