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

9
Patents

302.13657 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.14385 162.7
[M+Na]+ 325.12579 170.5
[M-H]- 301.12929 173.3
[M+NH4]+ 320.17039 181.2
[M+K]+ 341.09973 175.1
[M+H-H2O]+ 285.13383 164.0
[M+HCOO]- 347.13477 177.1
[M+CH3COO]- 361.15042 202.5
[M+Na-2H]- 323.11124 165.6
[M]+ 302.13602 169.9
[M]- 302.13712 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