CID 319986

5-iodo-6-methyluracil

Structural Information

Molecular Formula
C5H5IN2O2
SMILES
CC1=C(C(=O)NC(=O)N1)I
InChI
InChI=1S/C5H5IN2O2/c1-2-3(6)4(9)8-5(10)7-2/h1H3,(H2,7,8,9,10)
InChIKey
SYWCZCQBZPXNIV-UHFFFAOYSA-N
Compound name
5-iodo-6-methyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

251.93958 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.94686 131.8
[M+Na]+ 274.92880 135.9
[M-H]- 250.93230 124.5
[M+NH4]+ 269.97340 145.1
[M+K]+ 290.90274 138.3
[M+H-H2O]+ 234.93684 122.5
[M+HCOO]- 296.93778 147.7
[M+CH3COO]- 310.95343 177.5
[M+Na-2H]- 272.91425 126.6
[M]+ 251.93903 127.9
[M]- 251.94013 127.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe