CID 102759

2155-38-6

Structural Information

Molecular Formula
C16H26O6
SMILES
C1CC2(CC3C1O3)COC(OC2)CCOCCOCC4CO4
InChI
InChI=1S/C16H26O6/c1-3-16(7-14-13(1)22-14)10-20-15(21-11-16)2-4-17-5-6-18-8-12-9-19-12/h12-15H,1-11H2
InChIKey
AGKSHJVVKNWHOO-UHFFFAOYSA-N
Compound name
2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethyl]spiro[1,3-dioxane-5,3'-7-oxabicyclo[4.1.0]heptane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.17294 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.180216 179.7
[M+Na]+ 337.162158 184.2
[M-H]- 313.165664 189.8
[M+NH4]+ 332.206763 181.7
[M+K]+ 353.136098 189.7
[M+H-H2O]+ 297.170200 172.5
[M+HCOO]- 359.171141 188.4
[M+CH3COO]- 373.186791 212.4
[M+Na-2H]- 335.147606 184.5
[M]+ 314.17239142 187.3
[M]- 314.17348858 187.3
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

No patent data available for this compound.