CID 319986

1461-67-2

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: 28
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]+	252.94686	135.5
[M+Na]+	274.92880	140.8
[M+NH4]+	269.97340	137.7
[M+K]+	290.90274	139.3
[M-H]-	250.93230	128.6
[M+Na-2H]-	272.91425	128.1
[M]+	251.93903	132.9
[M]-	251.94013	132.9

Literature stripe

literature stripe

Patent stripe

patents stripe