CID 12194211

848952-39-6

Structural Information

Molecular Formula

SMILES

CC1=C(C=CC(=N1)I)O

InChI

InChI=1S/C6H6INO/c1-4-5(9)2-3-6(7)8-4/h2-3,9H,1H3

InChIKey

KJIFHCTXFFMUIH-UHFFFAOYSA-N

Compound name

6-iodo-2-methylpyridin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 230
Patents: 234.94942 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	235.956696	130.3
[M+Na]+	257.938638	133.0
[M-H]-	233.942144	125.1
[M+NH4]+	252.983243	146.0
[M+K]+	273.912578	136.9
[M+H-H2O]+	217.946680	121.3
[M+HCOO]-	279.947621	148.0
[M+CH3COO]-	293.963271	178.6
[M+Na-2H]-	255.924086	125.7
[M]+	234.94887142	127.5
[M]-	234.94996858	127.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe