CID 3034092

4-pyridineethanethioamide

Structural Information

Molecular Formula
C7H8N2S
SMILES
C1=CN=CC=C1CC(=S)N
InChI
InChI=1S/C7H8N2S/c8-7(10)5-6-1-3-9-4-2-6/h1-4H,5H2,(H2,8,10)
InChIKey
YDWBSELKNDFNQZ-UHFFFAOYSA-N
Compound name
2-pyridin-4-ylethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
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 128.9
[M+Na]+ 175.03004 136.7
[M-H]- 151.03354 131.0
[M+NH4]+ 170.07464 148.7
[M+K]+ 191.00398 133.5
[M+H-H2O]+ 135.03808 122.6
[M+HCOO]- 197.03902 147.1
[M+CH3COO]- 211.05467 175.8
[M+Na-2H]- 173.01549 133.0
[M]+ 152.04027 127.7
[M]- 152.04137 127.7
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

patents stripe