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: 36
Patents: 251.93958 Da
Monoisotopic Mass: 0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	252.946856	131.8
[M+Na]+	274.928798	135.9
[M-H]-	250.932304	124.5
[M+NH4]+	269.973403	145.1
[M+K]+	290.902738	138.3
[M+H-H2O]+	234.936840	122.5
[M+HCOO]-	296.937781	147.7
[M+CH3COO]-	310.953431	177.5
[M+Na-2H]-	272.914246	126.6
[M]+	251.93903142	127.9
[M]-	251.94012858	127.9

Literature stripe

literature stripe

Patent stripe

patents stripe