CID 3035163

2-(pyridin-2-yl)ethanethioamide

Structural Information

Molecular Formula
C7H8N2S
SMILES
C1=CC=NC(=C1)CC(=S)N
InChI
InChI=1S/C7H8N2S/c8-7(10)5-6-3-1-2-4-9-6/h1-4H,5H2,(H2,8,10)
InChIKey
GRQAYQPAICYODT-UHFFFAOYSA-N
Compound name
2-pyridin-2-ylethanethioamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

24
Patents

152.04082 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.04810 129.6
[M+Na]+ 175.03004 141.2
[M+NH4]+ 170.07464 138.6
[M+K]+ 191.00398 133.2
[M-H]- 151.03354 132.0
[M+Na-2H]- 173.01549 136.3
[M]+ 152.04027 132.3
[M]- 152.04137 132.3
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