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

literature stripe

Patent stripe

patents stripe