CID 2763022

3-(iodomethyl)pyridine hydriodide

Structural Information

Molecular Formula
C6H6IN
SMILES
C1=CC(=CN=C1)CI
InChI
InChI=1S/C6H6IN/c7-4-6-2-1-3-8-5-6/h1-3,5H,4H2
InChIKey
UGLQALFLQMRSEC-UHFFFAOYSA-N
Compound name
3-(iodomethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

205
Patents

218.9545 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.961776 126.0
[M+Na]+ 241.943718 127.4
[M-H]- 217.947224 121.3
[M+NH4]+ 236.988323 142.4
[M+K]+ 257.917658 131.7
[M+H-H2O]+ 201.951760 116.4
[M+HCOO]- 263.952701 144.9
[M+CH3COO]- 277.968351 177.2
[M+Na-2H]- 239.929166 123.5
[M]+ 218.95395142 122.9
[M]- 218.95504858 122.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe