CID 480036

S-ethyl pyrazine-2-carbothioate

Structural Information

Molecular Formula
C7H8N2OS
SMILES
CCSC(=O)C1=NC=CN=C1
InChI
InChI=1S/C7H8N2OS/c1-2-11-7(10)6-5-8-3-4-9-6/h3-5H,2H2,1H3
InChIKey
JXCFRJYQKFGBDA-UHFFFAOYSA-N
Compound name
S-ethyl pyrazine-2-carbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.03574 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04302 132.3
[M+Na]+ 191.02496 141.1
[M-H]- 167.02846 133.6
[M+NH4]+ 186.06956 150.7
[M+K]+ 206.99890 138.8
[M+H-H2O]+ 151.03300 125.4
[M+HCOO]- 213.03394 149.1
[M+CH3COO]- 227.04959 175.8
[M+Na-2H]- 189.01041 136.9
[M]+ 168.03519 134.6
[M]- 168.03629 134.6
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.