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]+ 235.96793 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.