CID 14063798

3-iodo-5-methylpyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

199
Patents

218.9545 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.96178 124.8
[M+Na]+ 241.94372 127.1
[M-H]- 217.94722 120.6
[M+NH4]+ 236.98832 141.6
[M+K]+ 257.91766 131.5
[M+H-H2O]+ 201.95176 115.6
[M+HCOO]- 263.95270 143.8
[M+CH3COO]- 277.96835 178.2
[M+Na-2H]- 239.92917 121.7
[M]+ 218.95395 122.2
[M]- 218.95505 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