CID 68212

Iodomethamate sodium

Structural Information

Molecular Formula
C8H5I2NO5
SMILES
CN1C(=C(C(=O)C(=C1C(=O)O)I)I)C(=O)O
InChI
InChI=1S/C8H5I2NO5/c1-11-4(7(13)14)2(9)6(12)3(10)5(11)8(15)16/h1H3,(H,13,14)(H,15,16)
InChIKey
QXXSPCOLSLNNNE-UHFFFAOYSA-N
Compound name
3,5-diiodo-1-methyl-4-oxopyridine-2,6-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

256
Patents

448.8257 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.83298 155.0
[M+Na]+ 471.81492 150.5
[M-H]- 447.81842 145.0
[M+NH4]+ 466.85952 160.6
[M+K]+ 487.78886 160.5
[M+H-H2O]+ 431.82296 143.7
[M+HCOO]- 493.82390 163.7
[M+CH3COO]- 507.83955 209.1
[M+Na-2H]- 469.80037 139.4
[M]+ 448.82515 152.1
[M]- 448.82625 152.1
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