CID 58819970

Methyl 4-iodo-2-methoxynicotinate

Structural Information

Molecular Formula
C8H8INO3
SMILES
COC1=NC=CC(=C1C(=O)OC)I
InChI
InChI=1S/C8H8INO3/c1-12-7-6(8(11)13-2)5(9)3-4-10-7/h3-4H,1-2H3
InChIKey
ZQNXHHRSPUYXSN-UHFFFAOYSA-N
Compound name
methyl 4-iodo-2-methoxypyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

292.9549 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.96218 145.0
[M+Na]+ 315.94412 147.2
[M-H]- 291.94762 140.9
[M+NH4]+ 310.98872 158.9
[M+K]+ 331.91806 152.4
[M+H-H2O]+ 275.95216 134.9
[M+HCOO]- 337.95310 163.0
[M+CH3COO]- 351.96875 190.0
[M+Na-2H]- 313.92957 138.6
[M]+ 292.95435 146.0
[M]- 292.95545 146.0
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