CID 97179

2-iodopyridin-3-ol

Structural Information

Molecular Formula
C5H4INO
SMILES
C1=CC(=C(N=C1)I)O
InChI
InChI=1S/C5H4INO/c6-5-4(8)2-1-3-7-5/h1-3,8H
InChIKey
HJBGMPCMSWJZNH-UHFFFAOYSA-N
Compound name
2-iodopyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

438
Patents

220.93376 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.94104 126.5
[M+Na]+ 243.92298 128.7
[M-H]- 219.92648 121.1
[M+NH4]+ 238.96758 142.4
[M+K]+ 259.89692 132.9
[M+H-H2O]+ 203.93102 117.4
[M+HCOO]- 265.93196 144.5
[M+CH3COO]- 279.94761 174.6
[M+Na-2H]- 241.90843 123.1
[M]+ 220.93321 123.0
[M]- 220.93431 123.0
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