CID 819132

4-iodopyridin-3-amine

Structural Information

Molecular Formula
C5H5IN2
SMILES
C1=CN=CC(=C1I)N
InChI
InChI=1S/C5H5IN2/c6-4-1-2-8-3-5(4)7/h1-3H,7H2
InChIKey
ZJRSKTXMSIVNAU-UHFFFAOYSA-N
Compound name
4-iodopyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

308
Patents

219.94975 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.957026 129.2
[M+Na]+ 242.938968 131.0
[M-H]- 218.942474 124.5
[M+NH4]+ 237.983573 145.2
[M+K]+ 258.912908 135.1
[M+H-H2O]+ 202.947010 119.5
[M+HCOO]- 264.947951 148.7
[M+CH3COO]- 278.963601 179.1
[M+Na-2H]- 240.924416 125.3
[M]+ 219.94920142 124.4
[M]- 219.95029858 124.4
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