CID 69881

2,4,8,10-tetraoxaspiro(5.5)undecane, 3,9-dimethyl-

Structural Information

Molecular Formula
C9H16O4
SMILES
CC1OCC2(CO1)COC(OC2)C
InChI
InChI=1S/C9H16O4/c1-7-10-3-9(4-11-7)5-12-8(2)13-6-9/h7-8H,3-6H2,1-2H3
InChIKey
WPVDFWYVAPVLEK-UHFFFAOYSA-N
Compound name
3,9-dimethyl-2,4,8,10-tetraoxaspiro[5.5]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

188.10486 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.112136 140.2
[M+Na]+ 211.094078 145.6
[M-H]- 187.097584 147.8
[M+NH4]+ 206.138683 156.6
[M+K]+ 227.068018 150.2
[M+H-H2O]+ 171.102120 134.9
[M+HCOO]- 233.103061 154.6
[M+CH3COO]- 247.118711 179.6
[M+Na-2H]- 209.079526 149.4
[M]+ 188.10431142 138.8
[M]- 188.10540858 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