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]+ 187.096476 137.4
[M+Na]+ 209.078418 144.7
[M-H]- 185.081924 142.5
[M+NH4]+ 204.123023 155.7
[M+K]+ 225.052358 147.1
[M+H-H2O]+ 169.086460 132.6
[M+HCOO]- 231.087401 152.5
[M+CH3COO]- 245.103051 178.4
[M+Na-2H]- 207.063866 146.9
[M]+ 186.08865142 137.4
[M]- 186.08974858 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.