CID 102221012

1554363-68-6

Structural Information

Molecular Formula
C12H15IO7
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H](C(=CO1)I)OC(=O)C)OC(=O)C
InChI
InChI=1S/C12H15IO7/c1-6(14)17-5-10-12(20-8(3)16)11(19-7(2)15)9(13)4-18-10/h4,10-12H,5H2,1-3H3/t10-,11-,12-/m1/s1
InChIKey
WFNKIWQIEHAHQU-IJLUTSLNSA-N
Compound name
[(2R,3R,4S)-3,4-diacetyloxy-5-iodo-3,4-dihydro-2H-pyran-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

397.98624 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.99352 173.9
[M+Na]+ 420.97546 173.2
[M-H]- 396.97896 171.1
[M+NH4]+ 416.02006 183.5
[M+K]+ 436.94940 180.9
[M+H-H2O]+ 380.98350 163.9
[M+HCOO]- 442.98444 187.5
[M+CH3COO]- 457.00009 207.9
[M+Na-2H]- 418.96091 161.8
[M]+ 397.98569 176.9
[M]- 397.98679 176.9
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