CID 16413170

Methyl 3-iodoimidazo[1,2-a]pyridine-6-carboxylate

Structural Information

Molecular Formula
C9H7IN2O2
SMILES
COC(=O)C1=CN2C(=NC=C2I)C=C1
InChI
InChI=1S/C9H7IN2O2/c1-14-9(13)6-2-3-8-11-4-7(10)12(8)5-6/h2-5H,1H3
InChIKey
BOMNUWULLKLFNL-UHFFFAOYSA-N
Compound name
methyl 3-iodoimidazo[1,2-a]pyridine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

301.95523 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.96251 141.1
[M+Na]+ 324.94445 145.3
[M-H]- 300.94795 137.0
[M+NH4]+ 319.98905 156.2
[M+K]+ 340.91839 148.8
[M+H-H2O]+ 284.95249 130.8
[M+HCOO]- 346.95343 159.6
[M+CH3COO]- 360.96908 190.7
[M+Na-2H]- 322.92990 136.4
[M]+ 301.95468 142.6
[M]- 301.95578 142.6
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