CID 15350913

211308-80-4

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
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

literature stripe

Patent stripe

patents stripe