CID 1912564

376616-73-8

Structural Information

Molecular Formula

C₁₀H₁₆N₂O₂S

SMILES

CCCCCCSC1=NC(=CC(=O)N1)O

InChI

InChI=1S/C10H16N2O2S/c1-2-3-4-5-6-15-10-11-8(13)7-9(14)12-10/h7H,2-6H2,1H3,(H2,11,12,13,14)

InChIKey

UYXOAKRMLQKLQX-UHFFFAOYSA-N

Compound name

2-hexylsulfanyl-4-hydroxy-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 25
Patents: 228.09325 Da
Monoisotopic Mass: 2.4
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]+	229.10053	149.2
[M+Na]+	251.08247	157.5
[M-H]-	227.08597	147.6
[M+NH4]+	246.12707	164.3
[M+K]+	267.05641	152.5
[M+H-H2O]+	211.09051	142.4
[M+HCOO]-	273.09145	163.2
[M+CH3COO]-	287.10710	183.9
[M+Na-2H]-	249.06792	151.2
[M]+	228.09270	151.8
[M]-	228.09380	151.8

Literature stripe

literature stripe

Patent stripe

patents stripe