CID 642805

4-(iodomethyl)pyridine hydroiodide

Structural Information

Molecular Formula
C6H6IN
SMILES
C1=CN=CC=C1CI
InChI
InChI=1S/C6H6IN/c7-5-6-1-3-8-4-2-6/h1-4H,5H2
InChIKey
KQLHSXTTZXUVCW-UHFFFAOYSA-N
Compound name
4-(iodomethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
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

literature stripe

Patent stripe

patents stripe