CID 87233

17682-71-2

Structural Information

Molecular Formula
C9H16O6
SMILES
CC1(O[C@H]2[C@@H]([C@@H](O[C@]2(O1)CO)CO)O)C
InChI
InChI=1S/C9H16O6/c1-8(2)14-7-6(12)5(3-10)13-9(7,4-11)15-8/h5-7,10-12H,3-4H2,1-2H3/t5-,6+,7-,9-/m0/s1
InChIKey
AVVCILZWWPKOLD-XQXXSGGOSA-N
Compound name
(3aS,5S,6R,6aS)-3a,5-bis(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-6-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

220.09468 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.101956 142.2
[M+Na]+ 243.083898 150.7
[M-H]- 219.087404 144.9
[M+NH4]+ 238.128503 163.4
[M+K]+ 259.057838 152.0
[M+H-H2O]+ 203.091940 141.5
[M+HCOO]- 265.092881 157.2
[M+CH3COO]- 279.108531 179.2
[M+Na-2H]- 241.069346 148.9
[M]+ 220.09413142 145.2
[M]- 220.09522858 145.2
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

No patent data available for this compound.