CID 7127182

4-iodo-6-methoxypyrimidine

Structural Information

Molecular Formula
C5H5IN2O
SMILES
COC1=CC(=NC=N1)I
InChI
InChI=1S/C5H5IN2O/c1-9-5-2-4(6)7-3-8-5/h2-3H,1H3
InChIKey
QDBUDQCGLQIPKI-UHFFFAOYSA-N
Compound name
4-iodo-6-methoxypyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

133
Patents

235.94466 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.95194 128.0
[M+Na]+ 258.93388 130.7
[M-H]- 234.93738 122.4
[M+NH4]+ 253.97848 142.7
[M+K]+ 274.90782 135.6
[M+H-H2O]+ 218.94192 117.7
[M+HCOO]- 280.94286 146.2
[M+CH3COO]- 294.95851 179.8
[M+Na-2H]- 256.91933 125.3
[M]+ 235.94411 126.8
[M]- 235.94521 126.8
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