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
1
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]+ 221.10196 142.2
[M+Na]+ 243.08390 150.7
[M-H]- 219.08740 144.9
[M+NH4]+ 238.12850 163.4
[M+K]+ 259.05784 152.0
[M+H-H2O]+ 203.09194 141.5
[M+HCOO]- 265.09288 157.2
[M+CH3COO]- 279.10853 179.2
[M+Na-2H]- 241.06935 148.9
[M]+ 220.09413 145.2
[M]- 220.09523 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.