CID 61945

Pyrazineethanethiol

Structural Information

Molecular Formula
C6H8N2S
SMILES
C1=CN=C(C=N1)CCS
InChI
InChI=1S/C6H8N2S/c9-4-1-6-5-7-2-3-8-6/h2-3,5,9H,1,4H2
InChIKey
QKVWBAMZPUHCMO-UHFFFAOYSA-N
Compound name
2-pyrazin-2-ylethanethiol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

490
Patents

140.04082 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.04810 126.2
[M+Na]+ 163.03004 139.8
[M+NH4]+ 158.07464 135.6
[M+K]+ 179.00398 130.8
[M-H]- 139.03354 128.3
[M+Na-2H]- 161.01549 133.8
[M]+ 140.04027 129.2
[M]- 140.04137 129.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe