CID 202538

10606-53-8

Structural Information

Molecular Formula

C₇H₁₀N₂O₂

SMILES

CCC1=C(NC(=O)NC1=O)C

InChI

InChI=1S/C7H10N2O2/c1-3-5-4(2)8-7(11)9-6(5)10/h3H2,1-2H3,(H2,8,9,10,11)

InChIKey

BTSKTUHNJCDYNN-UHFFFAOYSA-N

Compound name

5-ethyl-6-methyl-1H-pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 154.07423 Da
Monoisotopic Mass: 0.2
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	129.3
[M+Na]+	177.06345	140.2
[M-H]-	153.06695	128.6
[M+NH4]+	172.10805	147.1
[M+K]+	193.03739	136.4
[M+H-H2O]+	137.07149	123.4
[M+HCOO]-	199.07243	149.7
[M+CH3COO]-	213.08808	171.4
[M+Na-2H]-	175.04890	135.4
[M]+	154.07368	128.4
[M]-	154.07478	128.4

Literature stripe

literature stripe

Patent stripe

patents stripe