CID 89957

23003-30-7

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
2
Annotation Hits

0
References

347
Patents

234.94942 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.956696 130.3
[M+Na]+ 257.938638 133.0
[M-H]- 233.942144 125.1
[M+NH4]+ 252.983243 146.0
[M+K]+ 273.912578 136.9
[M+H-H2O]+ 217.946680 121.3
[M+HCOO]- 279.947621 148.0
[M+CH3COO]- 293.963271 178.6
[M+Na-2H]- 255.924086 125.7
[M]+ 234.94887142 127.5
[M]- 234.94996858 127.5
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

patents stripe