CID 688155

(2r,3r)-dimethyl-2,3-o-isopropylidene tartrate

Structural Information

Molecular Formula
C9H14O6
SMILES
CC1(O[C@H]([C@@H](O1)C(=O)OC)C(=O)OC)C
InChI
InChI=1S/C9H14O6/c1-9(2)14-5(7(10)12-3)6(15-9)8(11)13-4/h5-6H,1-4H3/t5-,6-/m1/s1
InChIKey
ROZOUYVVWUTPNG-PHDIDXHHSA-N
Compound name
dimethyl (4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

149
Patents

218.07904 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.08632 141.8
[M+Na]+ 241.06826 149.8
[M-H]- 217.07176 147.0
[M+NH4]+ 236.11286 161.6
[M+K]+ 257.04220 153.3
[M+H-H2O]+ 201.07630 138.4
[M+HCOO]- 263.07724 162.0
[M+CH3COO]- 277.09289 185.4
[M+Na-2H]- 239.05371 146.2
[M]+ 218.07849 147.9
[M]- 218.07959 147.9
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