CID 12691322

4-iodo-2-methylpyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

391
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

No literature data available for this compound.

Patent stripe

patents stripe