CID 89957

3-hydroxy-2-iodo-6-methylpyridine

Structural Information

Molecular Formula
C6H6INO
SMILES
CC1=NC(=C(C=C1)O)I
InChI
InChI=1S/C6H6INO/c1-4-2-3-5(9)6(7)8-4/h2-3,9H,1H3
InChIKey
HRZOWBGCOJWHDY-UHFFFAOYSA-N
Compound name
2-iodo-6-methylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

310
Patents

234.94942 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.95670 131.2
[M+Na]+ 257.93864 137.2
[M+NH4]+ 252.98324 135.5
[M+K]+ 273.91258 134.5
[M-H]- 233.94214 126.5
[M+Na-2H]- 255.92409 125.7
[M]+ 234.94887 129.6
[M]- 234.94997 129.6
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

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