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]+ 236.95194 134.6
[M+Na]+ 258.93388 136.8
[M-H]- 234.93738 129.0
[M+NH4]+ 253.97848 149.5
[M+K]+ 274.90782 140.4
[M+H-H2O]+ 218.94192 125.1
[M+HCOO]- 280.94286 152.8
[M+CH3COO]- 294.95851 179.7
[M+Na-2H]- 256.91933 129.3
[M]+ 235.94411 129.7
[M]- 235.94521 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.