CID 12027786

4-iodo-6-methoxypyridin-3-ol

Structural Information

Molecular Formula
C6H6INO2
SMILES
COC1=NC=C(C(=C1)I)O
InChI
InChI=1S/C6H6INO2/c1-10-6-2-4(7)5(9)3-8-6/h2-3,9H,1H3
InChIKey
AUEKKHSBTAFFDU-UHFFFAOYSA-N
Compound name
4-iodo-6-methoxypyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

250.94434 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.95162 134.8
[M+Na]+ 273.93356 137.4
[M-H]- 249.93706 129.6
[M+NH4]+ 268.97816 149.8
[M+K]+ 289.90750 141.8
[M+H-H2O]+ 233.94160 125.4
[M+HCOO]- 295.94254 152.6
[M+CH3COO]- 309.95819 180.5
[M+Na-2H]- 271.91901 130.1
[M]+ 250.94379 133.3
[M]- 250.94489 133.3
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