CID 81065

3-tert-butyl-6-methyluracil

Structural Information

Molecular Formula

C₉H₁₄N₂O₂

SMILES

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

InChI

InChI=1S/C9H14N2O2/c1-6-5-7(12)11(8(13)10-6)9(2,3)4/h5H,1-4H3,(H,10,13)

InChIKey

ZXURPSNWUDKNAH-UHFFFAOYSA-N

Compound name

3-tert-butyl-6-methyl-1H-pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3
Patents: 182.10553 Da
Monoisotopic Mass: 0.6
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]+	183.11281	139.1
[M+Na]+	205.09475	152.0
[M+NH4]+	200.13935	145.3
[M+K]+	221.06869	147.4
[M-H]-	181.09825	138.2
[M+Na-2H]-	203.08020	144.3
[M]+	182.10498	140.5
[M]-	182.10608	140.5

Literature stripe

literature stripe

Patent stripe

patents stripe