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

352
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 132.6
[M+NH4]+ 236.98832 131.2
[M+K]+ 257.91766 129.2
[M-H]- 217.94722 122.3
[M+Na-2H]- 239.92917 122.0
[M]+ 218.95395 124.9
[M]- 218.95505 124.9
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