CID 17750195

356561-08-5

Structural Information

Molecular Formula

SMILES

CC1=CC(=NC=C1I)N

InChI

InChI=1S/C6H7IN2/c1-4-2-6(8)9-3-5(4)7/h2-3H,1H3,(H2,8,9)

InChIKey

HYRZCIXFHXERJT-UHFFFAOYSA-N

Compound name

5-iodo-4-methylpyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 97
Patents: 233.9654 Da
Monoisotopic Mass: 1.5
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]+	234.97268	133.3
[M+Na]+	256.95462	135.6
[M-H]-	232.95812	128.9
[M+NH4]+	251.99922	149.1
[M+K]+	272.92856	139.4
[M+H-H2O]+	216.96266	123.7
[M+HCOO]-	278.96360	152.4
[M+CH3COO]-	292.97925	183.0
[M+Na-2H]-	254.94007	128.2
[M]+	233.96485	129.2
[M]-	233.96595	129.2

Literature stripe

literature stripe

Patent stripe

patents stripe