CID 476218

3-iodopyridine-2,6-diamine

Structural Information

Molecular Formula
C5H6IN3
SMILES
C1=CC(=NC(=C1I)N)N
InChI
InChI=1S/C5H6IN3/c6-3-1-2-4(7)9-5(3)8/h1-2H,(H4,7,8,9)
InChIKey
JRCCUFRNNYDTGN-UHFFFAOYSA-N
Compound name
3-iodopyridine-2,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

234.96065 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.96793 137.0
[M+Na]+ 257.94987 138.9
[M-H]- 233.95337 132.3
[M+NH4]+ 252.99447 152.1
[M+K]+ 273.92381 142.5
[M+H-H2O]+ 217.95791 127.1
[M+HCOO]- 279.95885 156.7
[M+CH3COO]- 293.97450 184.3
[M+Na-2H]- 255.93532 131.3
[M]+ 234.96010 130.9
[M]- 234.96120 130.9
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