CID 209755

1,2:5,6-bis-o-(1-methylethylidene)-3-o-2-propenyl-alpha-d-glucofuranose

Structural Information

Molecular Formula
C15H24O6
SMILES
CC1(OC[C@@H](O1)[C@@H]2[C@@H](C3C(O2)OC(O3)(C)C)OCC=C)C
InChI
InChI=1S/C15H24O6/c1-6-7-16-11-10(9-8-17-14(2,3)19-9)18-13-12(11)20-15(4,5)21-13/h6,9-13H,1,7-8H2,2-5H3/t9-,10-,11+,12?,13?/m1/s1
InChIKey
XVJPYQDFXZAPEI-VFPQWFPESA-N
Compound name
(5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.1573 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.16458 164.2
[M+Na]+ 323.14652 172.0
[M-H]- 299.15002 174.4
[M+NH4]+ 318.19112 182.9
[M+K]+ 339.12046 175.3
[M+H-H2O]+ 283.15456 165.0
[M+HCOO]- 345.15550 179.1
[M+CH3COO]- 359.17115 202.8
[M+Na-2H]- 321.13197 167.3
[M]+ 300.15675 170.9
[M]- 300.15785 170.9
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.