CID 2734733

34819-86-8

Structural Information

Molecular Formula
C10H14O5
SMILES
C[C@H]1[C@@H]([C@H](C=CO1)OC(=O)C)OC(=O)C
InChI
InChI=1S/C10H14O5/c1-6-10(15-8(3)12)9(4-5-13-6)14-7(2)11/h4-6,9-10H,1-3H3/t6-,9-,10-/m0/s1
InChIKey
NDEGMKQAZZBNBB-JUWDTYFHSA-N
Compound name
[(2S,3S,4S)-3-acetyloxy-2-methyl-3,4-dihydro-2H-pyran-4-yl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

169
Patents

214.08412 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.09140 144.7
[M+Na]+ 237.07334 154.8
[M+NH4]+ 232.11794 150.9
[M+K]+ 253.04728 151.8
[M-H]- 213.07684 145.6
[M+Na-2H]- 235.05879 147.3
[M]+ 214.08357 146.1
[M]- 214.08467 146.1
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