CID 387132

Nsc680540

Structural Information

Molecular Formula
C14H18O7
SMILES
CC(=O)OC1=C(C(OC1=O)C2COC(O2)(C)C)OCC=C
InChI
InChI=1S/C14H18O7/c1-5-6-17-11-10(9-7-18-14(3,4)21-9)20-13(16)12(11)19-8(2)15/h5,9-10H,1,6-7H2,2-4H3
InChIKey
SNUSGDPWNYHOPC-UHFFFAOYSA-N
Compound name
[2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-oxo-3-prop-2-enoxy-2H-furan-4-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.10526 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.11254 161.7
[M+Na]+ 321.09448 169.7
[M-H]- 297.09798 170.7
[M+NH4]+ 316.13908 178.6
[M+K]+ 337.06842 172.1
[M+H-H2O]+ 281.10252 158.9
[M+HCOO]- 343.10346 181.3
[M+CH3COO]- 357.11911 201.0
[M+Na-2H]- 319.07993 163.5
[M]+ 298.10471 169.2
[M]- 298.10581 169.2
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.