CID 11196237

37076-71-4

Structural Information

Molecular Formula
C11H16O7
SMILES
C[C@@H]1[C@H]([C@H](C(O1)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C11H16O7/c1-5-9(16-6(2)12)10(17-7(3)13)11(15-5)18-8(4)14/h5,9-11H,1-4H3/t5-,9-,10-,11?/m1/s1
InChIKey
NXEJETQVUQAKTO-ZBCCYFLUSA-N
Compound name
[(2R,3R,4R)-4,5-diacetyloxy-2-methyloxolan-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

104
Patents

260.0896 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.09688 155.4
[M+Na]+ 283.07882 162.3
[M+NH4]+ 278.12342 159.5
[M+K]+ 299.05276 163.4
[M-H]- 259.08232 153.8
[M+Na-2H]- 281.06427 154.3
[M]+ 260.08905 155.3
[M]- 260.09015 155.3
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