CID 824910

5-allyl-6-methyluracil

Structural Information

Molecular Formula

C₈H₁₀N₂O₂

SMILES

CC1=C(C(=O)NC(=O)N1)CC=C

InChI

InChI=1S/C8H10N2O2/c1-3-4-6-5(2)9-8(12)10-7(6)11/h3H,1,4H2,2H3,(H2,9,10,11,12)

InChIKey

KWHYPGGBFHXFLD-UHFFFAOYSA-N

Compound name

6-methyl-5-prop-2-enyl-1H-pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 166.07423 Da
Monoisotopic Mass: 0.5
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]+	167.08151	134.2
[M+Na]+	189.06345	147.1
[M+NH4]+	184.10805	140.2
[M+K]+	205.03739	141.6
[M-H]-	165.06695	133.2
[M+Na-2H]-	187.04890	139.0
[M]+	166.07368	135.4
[M]-	166.07478	135.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.