CID 135467448

5-iodo-6-methylpyrimidin-4-ol

Structural Information

Molecular Formula
C5H5IN2O
SMILES
CC1=C(C(=O)NC=N1)I
InChI
InChI=1S/C5H5IN2O/c1-3-4(6)5(9)8-2-7-3/h2H,1H3,(H,7,8,9)
InChIKey
XHNGJGWIEPTDEH-UHFFFAOYSA-N
Compound name
5-iodo-4-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

235.94466 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.95194 127.7
[M+Na]+ 258.93388 131.2
[M-H]- 234.93738 121.3
[M+NH4]+ 253.97848 142.1
[M+K]+ 274.90782 134.6
[M+H-H2O]+ 218.94192 118.1
[M+HCOO]- 280.94286 144.7
[M+CH3COO]- 294.95851 177.6
[M+Na-2H]- 256.91933 123.8
[M]+ 235.94411 124.5
[M]- 235.94521 124.5
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