CID 46737834

4-amino-2-iodopyridin-3-ol

Structural Information

Molecular Formula
C5H5IN2O
SMILES
C1=CN=C(C(=C1N)O)I
InChI
InChI=1S/C5H5IN2O/c6-5-4(9)3(7)1-2-8-5/h1-2,9H,(H2,7,8)
InChIKey
DSCZXTKPQSVQCH-UHFFFAOYSA-N
Compound name
4-amino-2-iodopyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.94466 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.951936 134.6
[M+Na]+ 258.933878 136.8
[M-H]- 234.937384 129.0
[M+NH4]+ 253.978483 149.5
[M+K]+ 274.907818 140.4
[M+H-H2O]+ 218.941920 125.1
[M+HCOO]- 280.942861 152.8
[M+CH3COO]- 294.958511 179.7
[M+Na-2H]- 256.919326 129.3
[M]+ 235.94411142 129.7
[M]- 235.94520858 129.7
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

No patent data available for this compound.