CID 135133940

Methyl 4-amino-5-iodo-pyridine-2-carboxylate

Structural Information

Molecular Formula
C7H7IN2O2
SMILES
COC(=O)C1=NC=C(C(=C1)N)I
InChI
InChI=1S/C7H7IN2O2/c1-12-7(11)6-2-5(9)4(8)3-10-6/h2-3H,1H3,(H2,9,10)
InChIKey
WQHFLXWXQOIXKN-UHFFFAOYSA-N
Compound name
methyl 4-amino-5-iodopyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

277.95523 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.962506 145.2
[M+Na]+ 300.944448 147.0
[M-H]- 276.947954 140.7
[M+NH4]+ 295.989053 159.1
[M+K]+ 316.918388 151.4
[M+H-H2O]+ 260.952490 135.0
[M+HCOO]- 322.953431 163.6
[M+CH3COO]- 336.969081 189.2
[M+Na-2H]- 298.929896 138.2
[M]+ 277.95468142 142.7
[M]- 277.95577858 142.7
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