CID 175372

73003-74-4

Structural Information

Molecular Formula

C₁₀H₁₆N₂S

SMILES

CCSC1=NC=CN=C1CC(C)C

InChI

InChI=1S/C10H16N2S/c1-4-13-10-9(7-8(2)3)11-5-6-12-10/h5-6,8H,4,7H2,1-3H3

InChIKey

DGQMCLSYOVKMIK-UHFFFAOYSA-N

Compound name

2-ethylsulfanyl-3-(2-methylpropyl)pyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 196.10342 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]+	197.11070	144.0
[M+Na]+	219.09264	156.8
[M+NH4]+	214.13724	152.7
[M+K]+	235.06658	147.9
[M-H]-	195.09614	145.8
[M+Na-2H]-	217.07809	150.1
[M]+	196.10287	146.9
[M]-	196.10397	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.