CID 45361742

4-iodo-5-methoxypyridin-3-amine

Structural Information

Molecular Formula
C6H7IN2O
SMILES
COC1=C(C(=CN=C1)N)I
InChI
InChI=1S/C6H7IN2O/c1-10-5-3-9-2-4(8)6(5)7/h2-3H,8H2,1H3
InChIKey
SCHIBSNVRCPAFQ-UHFFFAOYSA-N
Compound name
4-iodo-5-methoxypyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

249.96031 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.96759 137.8
[M+Na]+ 272.94953 140.0
[M-H]- 248.95303 133.3
[M+NH4]+ 267.99413 152.9
[M+K]+ 288.92347 144.2
[M+H-H2O]+ 232.95757 127.9
[M+HCOO]- 294.95851 157.1
[M+CH3COO]- 308.97416 185.0
[M+Na-2H]- 270.93498 132.5
[M]+ 249.95976 135.0
[M]- 249.96086 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