CID 155943828

(2r,3s,4s)-2-(hydroxymethyl)-5-iodo-3,4-dihydro-2h-pyran-3,4-diol

Structural Information

Molecular Formula
C6H9IO4
SMILES
C1=C([C@H]([C@@H]([C@H](O1)CO)O)O)I
InChI
InChI=1S/C6H9IO4/c7-3-2-11-4(1-8)6(10)5(3)9/h2,4-6,8-10H,1H2/t4-,5-,6-/m1/s1
InChIKey
KFXRSUGIRMUELU-HSUXUTPPSA-N
Compound name
(2R,3S,4S)-2-(hydroxymethyl)-5-iodo-3,4-dihydro-2H-pyran-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.95456 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.961836 146.3
[M+Na]+ 294.943778 146.8
[M-H]- 270.947284 140.1
[M+NH4]+ 289.988383 159.1
[M+K]+ 310.917718 151.8
[M+H-H2O]+ 254.951820 137.8
[M+HCOO]- 316.952761 159.0
[M+CH3COO]- 330.968411 179.2
[M+Na-2H]- 292.929226 138.4
[M]+ 271.95401142 141.7
[M]- 271.95510858 141.7
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

No patent data available for this compound.