CID 4071082

1,4-cyclohexanedione bis(1,3-propylene ketal)

Structural Information

Molecular Formula
C12H20O4
SMILES
C1COC2(CCC3(CC2)OCCCO3)OC1
InChI
InChI=1S/C12H20O4/c1-7-13-11(14-8-1)3-5-12(6-4-11)15-9-2-10-16-12/h1-10H2
InChIKey
TTZKKSNZFKUTEN-UHFFFAOYSA-N
Compound name
1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

228.13615 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.14343 154.7
[M+Na]+ 251.12537 164.9
[M+NH4]+ 246.16997 166.4
[M+K]+ 267.09931 156.5
[M-H]- 227.12887 163.8
[M+Na-2H]- 249.11082 160.5
[M]+ 228.13560 159.0
[M]- 228.13670 159.0
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

patents stripe