CID 58053751

5-iodo-4-methoxypyridin-2-amine

Structural Information

Molecular Formula
C6H7IN2O
SMILES
COC1=CC(=NC=C1I)N
InChI
InChI=1S/C6H7IN2O/c1-10-5-2-6(8)9-3-4(5)7/h2-3H,1H3,(H2,8,9)
InChIKey
QWGWTCVCNBZBHK-UHFFFAOYSA-N
Compound name
5-iodo-4-methoxypyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

249.96031 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.967586 137.8
[M+Na]+ 272.949528 140.0
[M-H]- 248.953034 133.3
[M+NH4]+ 267.994133 152.9
[M+K]+ 288.923468 144.2
[M+H-H2O]+ 232.957570 127.9
[M+HCOO]- 294.958511 157.1
[M+CH3COO]- 308.974161 185.0
[M+Na-2H]- 270.934976 132.5
[M]+ 249.95976142 135.0
[M]- 249.96085858 135.0
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