CID 339045

2-iodo-3-methylpyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

303
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

literature stripe

Patent stripe

patents stripe