CID 161535

26691-06-5

Structural Information

Molecular Formula
C15H24O7
SMILES
COC[C@H]1[C@H]([C@H](OC(O1)C2=CC=CO2)[C@@H](COC)OC)OC
InChI
InChI=1S/C15H24O7/c1-16-8-11(18-3)14-13(19-4)12(9-17-2)21-15(22-14)10-6-5-7-20-10/h5-7,11-15H,8-9H2,1-4H3/t11-,12+,13-,14-,15?/m1/s1
InChIKey
BGNBHJYTJFQQRT-PFNKYVCDSA-N
Compound name
(4R,5R,6S)-4-[(1R)-1,2-dimethoxyethyl]-2-(furan-2-yl)-5-methoxy-6-(methoxymethyl)-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

38
Patents

316.1522 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.15948 172.5
[M+Na]+ 339.14142 177.5
[M-H]- 315.14492 180.5
[M+NH4]+ 334.18602 184.6
[M+K]+ 355.11536 181.3
[M+H-H2O]+ 299.14946 166.0
[M+HCOO]- 361.15040 190.5
[M+CH3COO]- 375.16605 205.6
[M+Na-2H]- 337.12687 174.5
[M]+ 316.15165 180.9
[M]- 316.15275 180.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe