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

118
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 129.4
[M+Na]+ 258.93388 135.5
[M+NH4]+ 253.97848 133.4
[M+K]+ 274.90782 133.0
[M-H]- 234.93738 124.4
[M+Na-2H]- 256.91933 124.7
[M]+ 235.94411 127.8
[M]- 235.94521 127.8
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