CID 117426

16713-80-7

Structural Information

Molecular Formula
C14H22O7
SMILES
CC(=O)O[C@H]1[C@H](O[C@H]2[C@@H]1OC(O2)(C)C)[C@H]3COC(O3)(C)C
InChI
InChI=1S/C14H22O7/c1-7(15)17-10-9(8-6-16-13(2,3)19-8)18-12-11(10)20-14(4,5)21-12/h8-12H,6H2,1-5H3/t8-,9-,10+,11-,12-/m1/s1
InChIKey
QZKDRLZSJSWQPS-RMPHRYRLSA-N
Compound name
[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

302.13657 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.143846 162.7
[M+Na]+ 325.125788 170.5
[M-H]- 301.129294 173.3
[M+NH4]+ 320.170393 181.2
[M+K]+ 341.099728 175.1
[M+H-H2O]+ 285.133830 164.0
[M+HCOO]- 347.134771 177.1
[M+CH3COO]- 361.150421 202.5
[M+Na-2H]- 323.111236 165.6
[M]+ 302.13602142 169.9
[M]- 302.13711858 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