CID 42553029

5-iodo-6-methylpyridin-2-ol

Structural Information

Molecular Formula
C6H6INO
SMILES
CC1=C(C=CC(=O)N1)I
InChI
InChI=1S/C6H6INO/c1-4-5(7)2-3-6(9)8-4/h2-3H,1H3,(H,8,9)
InChIKey
UFZSHCNPDKACCS-UHFFFAOYSA-N
Compound name
5-iodo-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

234.94942 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.956696 128.9
[M+Na]+ 257.938638 131.9
[M-H]- 233.942144 123.8
[M+NH4]+ 252.983243 144.6
[M+K]+ 273.912578 135.3
[M+H-H2O]+ 217.946680 120.0
[M+HCOO]- 279.947621 146.8
[M+CH3COO]- 293.963271 177.8
[M+Na-2H]- 255.924086 124.4
[M]+ 234.94887142 125.5
[M]- 234.94996858 125.5
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