CID 2734730

3945-18-4

Structural Information

Molecular Formula
C9H12O5
SMILES
CC(=O)O[C@H]1COC=C[C@H]1OC(=O)C
InChI
InChI=1S/C9H12O5/c1-6(10)13-8-3-4-12-5-9(8)14-7(2)11/h3-4,8-9H,5H2,1-2H3/t8-,9+/m1/s1
InChIKey
OWKCFBYWQGPLSJ-BDAKNGLRSA-N
Compound name
[(3S,4R)-4-acetyloxy-3,4-dihydro-2H-pyran-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

200.06847 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.07575 140.8
[M+Na]+ 223.05769 150.7
[M+NH4]+ 218.10229 147.1
[M+K]+ 239.03163 147.7
[M-H]- 199.06119 141.7
[M+Na-2H]- 221.04314 143.9
[M]+ 200.06792 142.1
[M]- 200.06902 142.1
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