CID 215148

1,3-dioxolane, 2,2'-(1,8-octanediyl)bis-

Structural Information

Molecular Formula
C14H26O4
SMILES
C1COC(O1)CCCCCCCCC2OCCO2
InChI
InChI=1S/C14H26O4/c1(3-5-7-13-15-9-10-16-13)2-4-6-8-14-17-11-12-18-14/h13-14H,1-12H2
InChIKey
VAYIVALSPABEAG-UHFFFAOYSA-N
Compound name
2-[8-(1,3-dioxolan-2-yl)octyl]-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.1831 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.19038 164.7
[M+Na]+ 281.17232 167.0
[M-H]- 257.17582 171.5
[M+NH4]+ 276.21692 178.9
[M+K]+ 297.14626 169.8
[M+H-H2O]+ 241.18036 159.8
[M+HCOO]- 303.18130 181.5
[M+CH3COO]- 317.19695 192.8
[M+Na-2H]- 279.15777 167.2
[M]+ 258.18255 167.6
[M]- 258.18365 167.6
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

No patent data available for this compound.