CID 4071082

28647-19-0

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

4
Patents

228.13615 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.143426 150.9
[M+Na]+ 251.125368 153.2
[M-H]- 227.128874 159.1
[M+NH4]+ 246.169973 166.8
[M+K]+ 267.099308 157.2
[M+H-H2O]+ 211.133410 143.9
[M+HCOO]- 273.134351 161.2
[M+CH3COO]- 287.150001 161.4
[M+Na-2H]- 249.110816 160.1
[M]+ 228.13560142 144.0
[M]- 228.13669858 144.0
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