CID 98786

Uracil, 3,5,6-trimethyl-

Structural Information

Molecular Formula

C₇H₁₀N₂O₂

SMILES

CC1=C(NC(=O)N(C1=O)C)C

InChI

InChI=1S/C7H10N2O2/c1-4-5(2)8-7(11)9(3)6(4)10/h1-3H3,(H,8,11)

InChIKey

JXAVGTALFKNUHV-UHFFFAOYSA-N

Compound name

3,5,6-trimethyl-1H-pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 154.07423 Da
Monoisotopic Mass: 0.0
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]+	155.08151	129.9
[M+Na]+	177.06345	143.9
[M+NH4]+	172.10805	136.7
[M+K]+	193.03739	138.7
[M-H]-	153.06695	129.8
[M+Na-2H]-	175.04890	135.5
[M]+	154.07368	131.7
[M]-	154.07478	131.7

Literature stripe

literature stripe

Patent stripe

patents stripe