CID 1516510

4-amino-3-iodopyridine

Structural Information

Molecular Formula
C5H5IN2
SMILES
C1=CN=CC(=C1N)I
InChI
InChI=1S/C5H5IN2/c6-4-3-8-2-1-5(4)7/h1-3H,(H2,7,8)
InChIKey
ZGOCEDVVZKFHSY-UHFFFAOYSA-N
Compound name
3-iodopyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

358
Patents

219.94975 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.95703 129.2
[M+Na]+ 242.93897 131.0
[M-H]- 218.94247 124.5
[M+NH4]+ 237.98357 145.2
[M+K]+ 258.91291 135.1
[M+H-H2O]+ 202.94701 119.5
[M+HCOO]- 264.94795 148.7
[M+CH3COO]- 278.96360 179.1
[M+Na-2H]- 240.92442 125.3
[M]+ 219.94920 124.4
[M]- 219.95030 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