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

214
Patents

218.9545 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.96178 126.0
[M+Na]+ 241.94372 127.4
[M-H]- 217.94722 121.3
[M+NH4]+ 236.98832 142.4
[M+K]+ 257.91766 131.7
[M+H-H2O]+ 201.95176 116.4
[M+HCOO]- 263.95270 144.9
[M+CH3COO]- 277.96835 177.2
[M+Na-2H]- 239.92917 123.5
[M]+ 218.95395 122.9
[M]- 218.95505 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