CID 24229181

3-iodo-5-methoxypyridine

Structural Information

Molecular Formula

SMILES

COC1=CC(=CN=C1)I

InChI

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

InChIKey

UJKNMHKWMSUTME-UHFFFAOYSA-N

Compound name

3-iodo-5-methoxypyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 160
Patents: 234.94942 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]+	235.95670	129.6
[M+Na]+	257.93864	131.8
[M-H]-	233.94214	125.3
[M+NH4]+	252.98324	145.6
[M+K]+	273.91258	136.6
[M+H-H2O]+	217.94668	120.0
[M+HCOO]-	279.94762	148.7
[M+CH3COO]-	293.96327	180.0
[M+Na-2H]-	255.92409	126.2
[M]+	234.94887	128.2
[M]-	234.94997	128.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe