CID 11052343

4,6-o-isopropylidene-d-glucal

Structural Information

Molecular Formula
C9H14O4
SMILES
CC1(OC[C@@H]2[C@@H](O1)[C@@H](C=CO2)O)C
InChI
InChI=1S/C9H14O4/c1-9(2)12-5-7-8(13-9)6(10)3-4-11-7/h3-4,6-8,10H,5H2,1-2H3/t6-,7-,8+/m1/s1
InChIKey
GAQDIYMHBQNXLE-PRJMDXOYSA-N
Compound name
(4aR,8R,8aS)-2,2-dimethyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.0892 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.09648 137.8
[M+Na]+ 209.07842 149.6
[M+NH4]+ 204.12302 147.6
[M+K]+ 225.05236 143.8
[M-H]- 185.08192 143.2
[M+Na-2H]- 207.06387 141.8
[M]+ 186.08865 141.2
[M]- 186.08975 141.2
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

No patent data available for this compound.