CID 175372

Pyrazine, 2-(ethylthio)-3-(2-methylpropyl)-

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.110696 142.3
[M+Na]+ 219.092638 150.4
[M-H]- 195.096144 143.4
[M+NH4]+ 214.137243 160.0
[M+K]+ 235.066578 147.5
[M+H-H2O]+ 179.100680 135.1
[M+HCOO]- 241.101621 157.7
[M+CH3COO]- 255.117271 185.5
[M+Na-2H]- 217.078086 144.8
[M]+ 196.10287142 145.5
[M]- 196.10396858 145.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.