CID 104509140

5-iodopyridine-3,4-diamine

Structural Information

Molecular Formula
C5H6IN3
SMILES
C1=C(C(=C(C=N1)I)N)N
InChI
InChI=1S/C5H6IN3/c6-3-1-9-2-4(7)5(3)8/h1-2H,7H2,(H2,8,9)
InChIKey
HTPAEXBGLNKQSN-UHFFFAOYSA-N
Compound name
5-iodopyridine-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.96065 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.967926 137.0
[M+Na]+ 257.949868 138.9
[M-H]- 233.953374 132.3
[M+NH4]+ 252.994473 152.1
[M+K]+ 273.923808 142.5
[M+H-H2O]+ 217.957910 127.1
[M+HCOO]- 279.958851 156.7
[M+CH3COO]- 293.974501 184.3
[M+Na-2H]- 255.935316 131.3
[M]+ 234.96010142 130.9
[M]- 234.96119858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.