CID 3023105

Methyl((1-methylethyl)thio)pyrazine

Structural Information

Molecular Formula

C₈H₁₂N₂S

SMILES

CC1=NC=CN=C1SC(C)C

InChI

InChI=1S/C8H12N2S/c1-6(2)11-8-7(3)9-4-5-10-8/h4-6H,1-3H3

InChIKey

LBAWRXUDKBOJMP-UHFFFAOYSA-N

Compound name

2-methyl-3-propan-2-ylsulfanylpyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 168.07211 Da
Monoisotopic Mass: 2.6
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]+	169.079386	133.4
[M+Na]+	191.061328	142.4
[M-H]-	167.064834	134.8
[M+NH4]+	186.105933	152.3
[M+K]+	207.035268	140.0
[M+H-H2O]+	151.069370	126.7
[M+HCOO]-	213.070311	149.5
[M+CH3COO]-	227.085961	179.6
[M+Na-2H]-	189.046776	136.9
[M]+	168.07156142	135.9
[M]-	168.07265858	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe