CID 9839384

(4r-cis)-6-[(acetyloxy)methyl]-2,2-dimethyl-1,3-dioxane-4-acetic acid, 1,1-dimethylethyl ester

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

73
Patents

302.17294 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.180216 167.7
[M+Na]+ 325.162158 172.9
[M-H]- 301.165664 172.1
[M+NH4]+ 320.206763 182.6
[M+K]+ 341.136098 176.1
[M+H-H2O]+ 285.170200 163.2
[M+HCOO]- 347.171141 182.5
[M+CH3COO]- 361.186791 203.7
[M+Na-2H]- 323.147606 171.4
[M]+ 302.17239142 173.6
[M]- 302.17348858 173.6
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