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]+ 272.96184 146.3
[M+Na]+ 294.94378 146.8
[M-H]- 270.94728 140.1
[M+NH4]+ 289.98838 159.1
[M+K]+ 310.91772 151.8
[M+H-H2O]+ 254.95182 137.8
[M+HCOO]- 316.95276 159.0
[M+CH3COO]- 330.96841 179.2
[M+Na-2H]- 292.92923 138.4
[M]+ 271.95401 141.7
[M]- 271.95511 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.