CID 12370267

2-iodo-4-methylpyridine

Structural Information

Molecular Formula
C6H6IN
SMILES
CC1=CC(=NC=C1)I
InChI
InChI=1S/C6H6IN/c1-5-2-3-8-6(7)4-5/h2-4H,1H3
InChIKey
DZFWKQYMUZMLSR-UHFFFAOYSA-N
Compound name
2-iodo-4-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

169
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 124.8
[M+Na]+ 241.943718 127.1
[M-H]- 217.947224 120.6
[M+NH4]+ 236.988323 141.6
[M+K]+ 257.917658 131.5
[M+H-H2O]+ 201.951760 115.6
[M+HCOO]- 263.952701 143.8
[M+CH3COO]- 277.968351 178.2
[M+Na-2H]- 239.929166 121.7
[M]+ 218.95395142 122.2
[M]- 218.95504858 122.2
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