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]+ 277.967276 140.6
[M+Na]+ 299.949218 142.9
[M-H]- 275.952724 136.5
[M+NH4]+ 294.993823 155.2
[M+K]+ 315.923158 147.6
[M+H-H2O]+ 259.957260 130.8
[M+HCOO]- 321.958201 158.5
[M+CH3COO]- 335.973851 188.0
[M+Na-2H]- 297.934666 134.3
[M]+ 276.95945142 140.3
[M]- 276.96054858 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