CID 96666

4099-85-8

Structural Information

Molecular Formula
C9H16O5
SMILES
CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)OC)CO)C
InChI
InChI=1S/C9H16O5/c1-9(2)13-6-5(4-10)12-8(11-3)7(6)14-9/h5-8,10H,4H2,1-3H3/t5-,6-,7-,8-/m1/s1
InChIKey
DXBHDBLZPXQALN-WCTZXXKLSA-N
Compound name
[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

193
Patents

204.09978 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.107056 140.4
[M+Na]+ 227.088998 149.0
[M-H]- 203.092504 145.7
[M+NH4]+ 222.133603 161.8
[M+K]+ 243.062938 151.4
[M+H-H2O]+ 187.097040 138.6
[M+HCOO]- 249.097981 158.4
[M+CH3COO]- 263.113631 181.7
[M+Na-2H]- 225.074446 146.2
[M]+ 204.09923142 145.1
[M]- 204.10032858 145.1
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