CID 23874

Barbituric acid, 5-butyl-1,3-dimethyl-

Structural Information

Molecular Formula

C₁₀H₁₆N₂O₃

SMILES

CCCCC1C(=O)N(C(=O)N(C1=O)C)C

InChI

InChI=1S/C10H16N2O3/c1-4-5-6-7-8(13)11(2)10(15)12(3)9(7)14/h7H,4-6H2,1-3H3

InChIKey

PAAOBODHLHVLMN-UHFFFAOYSA-N

Compound name

5-butyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 116
Patents: 212.11609 Da
Monoisotopic Mass: 1.2
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]+	213.12337	148.8
[M+Na]+	235.10531	159.9
[M+NH4]+	230.14991	154.4
[M+K]+	251.07925	154.9
[M-H]-	211.10881	147.8
[M+Na-2H]-	233.09076	150.7
[M]+	212.11554	149.7
[M]-	212.11664	149.7

Literature stripe

literature stripe

Patent stripe

patents stripe