CID 619776

5-iodo-1-methyluracil

Structural Information

Molecular Formula

C₅H₅IN₂O₂

SMILES

CN1C=C(C(=O)NC1=O)I

InChI

InChI=1S/C5H5IN2O2/c1-8-2-3(6)4(9)7-5(8)10/h2H,1H3,(H,7,9,10)

InChIKey

VQCQTJWSCCBUFL-UHFFFAOYSA-N

Compound name

5-iodo-1-methylpyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
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	134.5
[M+Na]+	274.92880	140.4
[M+NH4]+	269.97340	137.1
[M+K]+	290.90274	138.6
[M-H]-	250.93230	128.1
[M+Na-2H]-	272.91425	127.8
[M]+	251.93903	132.3
[M]-	251.94013	132.3

Literature stripe

literature stripe

Patent stripe

patents stripe