CID 67442

7,8,15,16-tetraoxadispiro[5.2.5.2]hexadecane

Structural Information

Molecular Formula
C12H20O4
SMILES
C1CCC2(CC1)OOC3(CCCCC3)OO2
InChI
InChI=1S/C12H20O4/c1-3-7-11(8-4-1)13-15-12(16-14-11)9-5-2-6-10-12/h1-10H2
InChIKey
FOAUQQDOLGYUFX-UHFFFAOYSA-N
Compound name
7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

46
Patents

228.13615 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.14343 150.9
[M+Na]+ 251.12537 153.2
[M-H]- 227.12887 159.1
[M+NH4]+ 246.16997 166.8
[M+K]+ 267.09931 157.2
[M+H-H2O]+ 211.13341 143.9
[M+HCOO]- 273.13435 161.2
[M+CH3COO]- 287.15000 161.4
[M+Na-2H]- 249.11082 160.1
[M]+ 228.13560 144.0
[M]- 228.13670 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

literature stripe

Patent stripe

patents stripe