CID 130050393

Methyl 5-iodo-3-methylpyridine-2-carboxylate

Structural Information

Molecular Formula
C8H8INO2
SMILES
CC1=CC(=CN=C1C(=O)OC)I
InChI
InChI=1S/C8H8INO2/c1-5-3-6(9)4-10-7(5)8(11)12-2/h3-4H,1-2H3
InChIKey
MEAUPCKBWKHWJE-UHFFFAOYSA-N
Compound name
methyl 5-iodo-3-methylpyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

276.96 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.96728 140.6
[M+Na]+ 299.94922 142.9
[M-H]- 275.95272 136.5
[M+NH4]+ 294.99382 155.2
[M+K]+ 315.92316 147.6
[M+H-H2O]+ 259.95726 130.8
[M+HCOO]- 321.95820 158.5
[M+CH3COO]- 335.97385 188.0
[M+Na-2H]- 297.93467 134.3
[M]+ 276.95945 140.3
[M]- 276.96055 140.3
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