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

7
References

349
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

literature stripe

Patent stripe

patents stripe