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
1
Annotation Hits

0
References

324
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 130.3
[M+Na]+ 257.93864 133.0
[M-H]- 233.94214 125.1
[M+NH4]+ 252.98324 146.0
[M+K]+ 273.91258 136.9
[M+H-H2O]+ 217.94668 121.3
[M+HCOO]- 279.94762 148.0
[M+CH3COO]- 293.96327 178.6
[M+Na-2H]- 255.92409 125.7
[M]+ 234.94887 127.5
[M]- 234.94997 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