CID 46739896

4-cyclopropyl-2-(methylthio)pyrimidine

Structural Information

Molecular Formula

C₈H₁₀N₂S

SMILES

CSC1=NC=CC(=N1)C2CC2

InChI

InChI=1S/C8H10N2S/c1-11-8-9-5-4-7(10-8)6-2-3-6/h4-6H,2-3H2,1H3

InChIKey

QSFHQUAETOYTCV-UHFFFAOYSA-N

Compound name

4-cyclopropyl-2-methylsulfanylpyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 166.05647 Da
Monoisotopic Mass: 1.6
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]+	167.063746	134.7
[M+Na]+	189.045688	145.6
[M-H]-	165.049194	139.9
[M+NH4]+	184.090293	148.7
[M+K]+	205.019628	141.9
[M+H-H2O]+	149.053730	126.9
[M+HCOO]-	211.054671	152.7
[M+CH3COO]-	225.070321	147.8
[M+Na-2H]-	187.031136	139.4
[M]+	166.05592142	138.5
[M]-	166.05701858	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.