CID 165554

N(1),n(3)-diallyluracil

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₂

SMILES

C=CCN1C=CC(=O)N(C1=O)CC=C

InChI

InChI=1S/C10H12N2O2/c1-3-6-11-8-5-9(13)12(7-4-2)10(11)14/h3-5,8H,1-2,6-7H2

InChIKey

RDFAAIUDYVIXJT-UHFFFAOYSA-N

Compound name

1,3-bis(prop-2-enyl)pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 4
Patents: 192.08987 Da
Monoisotopic Mass: 0.7
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]+	193.09715	137.8
[M+Na]+	215.07909	148.8
[M-H]-	191.08259	139.3
[M+NH4]+	210.12369	155.3
[M+K]+	231.05303	144.9
[M+H-H2O]+	175.08713	130.8
[M+HCOO]-	237.08807	160.6
[M+CH3COO]-	251.10372	183.9
[M+Na-2H]-	213.06454	143.5
[M]+	192.08932	140.4
[M]-	192.09042	140.4

Literature stripe

literature stripe

Patent stripe

patents stripe