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]+ 197.11070 142.3
[M+Na]+ 219.09264 150.4
[M-H]- 195.09614 143.4
[M+NH4]+ 214.13724 160.0
[M+K]+ 235.06658 147.5
[M+H-H2O]+ 179.10068 135.1
[M+HCOO]- 241.10162 157.7
[M+CH3COO]- 255.11727 185.5
[M+Na-2H]- 217.07809 144.8
[M]+ 196.10287 145.5
[M]- 196.10397 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.