CID 2357152

53681-50-8

Structural Information

Molecular Formula

C₉H₁₅N₃O₂

SMILES

CCCCN1C(=CC(=O)N(C1=O)C)N

InChI

InChI=1S/C9H15N3O2/c1-3-4-5-12-7(10)6-8(13)11(2)9(12)14/h6H,3-5,10H2,1-2H3

InChIKey

MKJULKCPESFFJU-UHFFFAOYSA-N

Compound name

6-amino-1-butyl-3-methylpyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 197.11642 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]+	198.12370	142.4
[M+Na]+	220.10564	154.9
[M+NH4]+	215.15024	148.5
[M+K]+	236.07958	149.6
[M-H]-	196.10914	142.8
[M+Na-2H]-	218.09109	147.3
[M]+	197.11587	144.0
[M]-	197.11697	144.0

Literature stripe

literature stripe

Patent stripe

patents stripe