CID 162342529

1370725-03-3

Structural Information

Molecular Formula
C7H7IN2O2
SMILES
CCOC(=O)C1=NC=NC=C1I
InChI
InChI=1S/C7H7IN2O2/c1-2-12-7(11)6-5(8)3-9-4-10-6/h3-4H,2H2,1H3
InChIKey
BAIWUPZFGKPRCP-UHFFFAOYSA-N
Compound name
ethyl 5-iodopyrimidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.95523 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.96251 140.2
[M+Na]+ 300.94445 142.0
[M-H]- 276.94795 134.5
[M+NH4]+ 295.98905 153.1
[M+K]+ 316.91839 146.8
[M+H-H2O]+ 260.95249 129.4
[M+HCOO]- 322.95343 157.2
[M+CH3COO]- 336.96908 186.7
[M+Na-2H]- 298.92990 135.2
[M]+ 277.95468 139.7
[M]- 277.95578 139.7
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

No patent data available for this compound.