CID 3056035

73322-12-0

Structural Information

Molecular Formula

C₁₀H₂₀N₂OS

SMILES

CCN1C(=NC(CC1(C)O)(C)C)SC

InChI

InChI=1S/C10H20N2OS/c1-6-12-8(14-5)11-9(2,3)7-10(12,4)13/h13H,6-7H2,1-5H3

InChIKey

LZZAPYAIYNDWAY-UHFFFAOYSA-N

Compound name

3-ethyl-4,6,6-trimethyl-2-methylsulfanyl-5H-pyrimidin-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 216.12964 Da
Monoisotopic Mass: 1.3
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]+	217.136916	144.1
[M+Na]+	239.118858	153.1
[M-H]-	215.122364	144.1
[M+NH4]+	234.163463	164.8
[M+K]+	255.092798	150.8
[M+H-H2O]+	199.126900	139.5
[M+HCOO]-	261.127841	156.3
[M+CH3COO]-	275.143491	185.7
[M+Na-2H]-	237.104306	147.2
[M]+	216.12909142	146.2
[M]-	216.13018858	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.