CID 93075

13224-99-2

Structural Information

Molecular Formula
C8H14O6
SMILES
CC1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@H](O2)O)O)O
InChI
InChI=1S/C8H14O6/c1-3-12-2-4-7(13-3)5(9)6(10)8(11)14-4/h3-11H,2H2,1H3/t3?,4-,5-,6-,7-,8+/m1/s1
InChIKey
VZPBLPQAMPVTFO-NKWOADHPSA-N
Compound name
(4aR,6S,7R,8R,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

94
Patents

206.07904 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.08632 142.4
[M+Na]+ 229.06826 148.8
[M-H]- 205.07176 144.8
[M+NH4]+ 224.11286 156.7
[M+K]+ 245.04220 150.7
[M+H-H2O]+ 189.07630 137.5
[M+HCOO]- 251.07724 153.7
[M+CH3COO]- 265.09289 179.0
[M+Na-2H]- 227.05371 148.2
[M]+ 206.07849 140.6
[M]- 206.07959 140.6
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