CID 103344

1,4,6,10,12,15,16,19-octaoxatrispiro[4.2.2.4.2.2]nonadecane

Structural Information

Molecular Formula
C11H16O8
SMILES
C1COC2(O1)OCC3(CO2)COC4(OCCO4)OC3
InChI
InChI=1S/C11H16O8/c1-2-13-10(12-1)16-5-9(6-17-10)7-18-11(19-8-9)14-3-4-15-11/h1-8H2
InChIKey
RPGPQNVERJRJQD-UHFFFAOYSA-N
Compound name
1,4,6,10,12,15,16,19-octaoxatrispiro[4.2.2.411.28.25]nonadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

276.0845 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.09178 153.1
[M+Na]+ 299.07372 157.8
[M-H]- 275.07722 165.5
[M+NH4]+ 294.11832 166.6
[M+K]+ 315.04766 166.4
[M+H-H2O]+ 259.08176 152.1
[M+HCOO]- 321.08270 161.4
[M+CH3COO]- 335.09835 164.7
[M+Na-2H]- 297.05917 162.5
[M]+ 276.08395 153.3
[M]- 276.08505 153.3
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