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]+ 259.190376 164.7
[M+Na]+ 281.172318 167.0
[M-H]- 257.175824 171.5
[M+NH4]+ 276.216923 178.9
[M+K]+ 297.146258 169.8
[M+H-H2O]+ 241.180360 159.8
[M+HCOO]- 303.181301 181.5
[M+CH3COO]- 317.196951 192.8
[M+Na-2H]- 279.157766 167.2
[M]+ 258.18255142 167.6
[M]- 258.18364858 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.