CID 581196

3-iodopyridin-4-ol

Structural Information

Molecular Formula
C5H4INO
SMILES
C1=CNC=C(C1=O)I
InChI
InChI=1S/C5H4INO/c6-4-3-7-2-1-5(4)8/h1-3H,(H,7,8)
InChIKey
YMAIMLIFWHAIKB-UHFFFAOYSA-N
Compound name
3-iodo-1H-pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

220.93376 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.94104 125.2
[M+Na]+ 243.92298 127.7
[M-H]- 219.92648 119.8
[M+NH4]+ 238.96758 141.1
[M+K]+ 259.89692 131.3
[M+H-H2O]+ 203.93102 116.2
[M+HCOO]- 265.93196 143.4
[M+CH3COO]- 279.94761 173.9
[M+Na-2H]- 241.90843 121.8
[M]+ 220.93321 121.1
[M]- 220.93431 121.1
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