CID 14423513

3-iodo-4-methylpyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

139
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 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

No literature data available for this compound.

Patent stripe

patents stripe