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

44
Patents

277.95523 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.96251 145.2
[M+Na]+ 300.94445 147.0
[M-H]- 276.94795 140.7
[M+NH4]+ 295.98905 159.1
[M+K]+ 316.91839 151.4
[M+H-H2O]+ 260.95249 135.0
[M+HCOO]- 322.95343 163.6
[M+CH3COO]- 336.96908 189.2
[M+Na-2H]- 298.92990 138.2
[M]+ 277.95468 142.7
[M]- 277.95578 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