CID 11253290

280116-78-1

Structural Information

Molecular Formula

SMILES

CNC1=NC=C(C=C1)I

InChI

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

InChIKey

JVPWDCQJEJGUST-UHFFFAOYSA-N

Compound name

5-iodo-N-methylpyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 233.9654 Da
Monoisotopic Mass: 1.8
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	132.4
[M+Na]+	256.95462	133.8
[M-H]-	232.95812	128.1
[M+NH4]+	251.99922	148.2
[M+K]+	272.92856	138.0
[M+H-H2O]+	216.96266	122.6
[M+HCOO]-	278.96360	152.2
[M+CH3COO]-	292.97925	182.6
[M+Na-2H]-	254.94007	129.1
[M]+	233.96485	128.9
[M]-	233.96595	128.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe