CID 88338

20031-21-4

Structural Information

Molecular Formula
C8H14O5
SMILES
CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)CO)O)C
InChI
InChI=1S/C8H14O5/c1-8(2)12-6-5(10)4(3-9)11-7(6)13-8/h4-7,9-10H,3H2,1-2H3/t4-,5+,6-,7-/m1/s1
InChIKey
JAUQZVBVVJJRKM-XZBKPIIZSA-N
Compound name
(3aR,5R,6S,6aR)-5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

319
Patents

190.08412 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.09140 136.8
[M+Na]+ 213.07334 145.3
[M-H]- 189.07684 140.8
[M+NH4]+ 208.11794 158.0
[M+K]+ 229.04728 147.1
[M+H-H2O]+ 173.08138 135.2
[M+HCOO]- 235.08232 153.5
[M+CH3COO]- 249.09797 176.4
[M+Na-2H]- 211.05879 142.6
[M]+ 190.08357 139.2
[M]- 190.08467 139.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.