CID 2724333

Dtxsid6041844

Structural Information

Molecular Formula
C6H8O6
SMILES
[C@H]1([C@@H]2[C@@H]([C@H](C(=O)O2)O)O[C@H]1O)O
InChI
InChI=1S/C6H8O6/c7-1-3-4(12-5(1)9)2(8)6(10)11-3/h1-5,7-9H/t1-,2-,3-,4-,5-/m1/s1
InChIKey
OGLCQHRZUSEXNB-WHDMSYDLSA-N
Compound name
(2R,3R,3aR,6R,6aR)-2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

26
Patents

176.03209 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.03937 130.0
[M+Na]+ 199.02131 139.0
[M-H]- 175.02481 132.5
[M+NH4]+ 194.06591 150.5
[M+K]+ 214.99525 139.4
[M+H-H2O]+ 159.02935 127.9
[M+HCOO]- 221.03029 147.3
[M+CH3COO]- 235.04594 170.9
[M+Na-2H]- 197.00676 133.8
[M]+ 176.03154 130.2
[M]- 176.03264 130.2
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