CID 135467448

7752-74-1

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

38
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 130.3
[M+Na]+ 258.93388 136.3
[M+NH4]+ 253.97848 133.7
[M+K]+ 274.90782 134.1
[M-H]- 234.93738 124.6
[M+Na-2H]- 256.91933 124.6
[M]+ 235.94411 128.4
[M]- 235.94521 128.4
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