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 137.4
[M+Na]+ 209.07842 144.7
[M-H]- 185.08192 142.5
[M+NH4]+ 204.12302 155.7
[M+K]+ 225.05236 147.1
[M+H-H2O]+ 169.08646 132.6
[M+HCOO]- 231.08740 152.5
[M+CH3COO]- 245.10305 178.4
[M+Na-2H]- 207.06387 146.9
[M]+ 186.08865 137.4
[M]- 186.08975 137.4
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.