CID 12343174

14001-64-0

Structural Information

Molecular Formula

C₇H₁₀N₂S

SMILES

CC1=CC(=NC(=N1)SC)C

InChI

InChI=1S/C7H10N2S/c1-5-4-6(2)9-7(8-5)10-3/h4H,1-3H3

InChIKey

LMTOWNMJYBIWTI-UHFFFAOYSA-N

Compound name

4,6-dimethyl-2-methylsulfanylpyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 88
Patents: 154.05647 Da
Monoisotopic Mass: 1.9
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]+	155.06375	128.5
[M+Na]+	177.04569	139.1
[M-H]-	153.04919	130.4
[M+NH4]+	172.09029	148.3
[M+K]+	193.01963	136.5
[M+H-H2O]+	137.05373	122.1
[M+HCOO]-	199.05467	145.9
[M+CH3COO]-	213.07032	176.8
[M+Na-2H]-	175.03114	132.8
[M]+	154.05592	131.6
[M]-	154.05702	131.6

Literature stripe

literature stripe

Patent stripe

patents stripe