CID 9839384

154026-95-6

Structural Information

Molecular Formula
C15H26O6
SMILES
CC(=O)OC[C@@H]1C[C@@H](OC(O1)(C)C)CC(=O)OC(C)(C)C
InChI
InChI=1S/C15H26O6/c1-10(16)18-9-12-7-11(19-15(5,6)20-12)8-13(17)21-14(2,3)4/h11-12H,7-9H2,1-6H3/t11-,12+/m1/s1
InChIKey
NGABCYSYENPREI-NEPJUHHUSA-N
Compound name
tert-butyl 2-[(4R,6S)-6-(acetyloxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

302.17294 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.18022 168.7
[M+Na]+ 325.16216 176.5
[M+NH4]+ 320.20676 174.5
[M+K]+ 341.13610 173.1
[M-H]- 301.16566 169.3
[M+Na-2H]- 323.14761 170.1
[M]+ 302.17239 169.9
[M]- 302.17349 169.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe