CID 45588387

3-iodo-2-methoxypyridin-4-amine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
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

No literature data available for this compound.

Patent stripe

patents stripe