CID 386048

Nsc677615

Structural Information

Molecular Formula
C15H20O6
SMILES
CC1(OCC(O1)C2C(=C(C(=O)O2)OCC=C)OCC=C)C
InChI
InChI=1S/C15H20O6/c1-5-7-17-12-11(10-9-19-15(3,4)21-10)20-14(16)13(12)18-8-6-2/h5-6,10-11H,1-2,7-9H2,3-4H3
InChIKey
NUEFTURFZQMGGL-UHFFFAOYSA-N
Compound name
2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-bis(prop-2-enoxy)-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.12598 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.13326 163.5
[M+Na]+ 319.11520 171.5
[M-H]- 295.11870 172.2
[M+NH4]+ 314.15980 180.6
[M+K]+ 335.08914 172.5
[M+H-H2O]+ 279.12324 160.4
[M+HCOO]- 341.12418 183.5
[M+CH3COO]- 355.13983 201.4
[M+Na-2H]- 317.10065 165.7
[M]+ 296.12543 170.6
[M]- 296.12653 170.6
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.