CID 622250

40738-83-8

Structural Information

Molecular Formula

C₆H₇IN₂O₂

SMILES

CN1C=C(C(=O)N(C1=O)C)I

InChI

InChI=1S/C6H7IN2O2/c1-8-3-4(7)5(10)9(2)6(8)11/h3H,1-2H3

InChIKey

XUUVRIXNFFFPCM-UHFFFAOYSA-N

Compound name

5-iodo-1,3-dimethylpyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
Patents: 265.95523 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]+	266.962506	131.2
[M+Na]+	288.944448	136.6
[M-H]-	264.947954	126.7
[M+NH4]+	283.989053	145.6
[M+K]+	304.918388	140.6
[M+H-H2O]+	248.952490	121.5
[M+HCOO]-	310.953431	149.6
[M+CH3COO]-	324.969081	186.4
[M+Na-2H]-	286.929896	126.1
[M]+	265.95468142	131.6
[M]-	265.95577858	131.6

Literature stripe

literature stripe

Patent stripe

patents stripe