CID 208390

32081-32-6

Structural Information

Molecular Formula
C9H12N2OS
SMILES
CCSC(C1=CC=CC=N1)C(=O)N
InChI
InChI=1S/C9H12N2OS/c1-2-13-8(9(10)12)7-5-3-4-6-11-7/h3-6,8H,2H2,1H3,(H2,10,12)
InChIKey
PNSRMGFWPHFXGY-UHFFFAOYSA-N
Compound name
2-ethylsulfanyl-2-pyridin-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.06703 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.074306 141.8
[M+Na]+ 219.056248 148.2
[M-H]- 195.059754 143.4
[M+NH4]+ 214.100853 159.5
[M+K]+ 235.030188 145.4
[M+H-H2O]+ 179.064290 134.8
[M+HCOO]- 241.065231 158.4
[M+CH3COO]- 255.080881 184.7
[M+Na-2H]- 217.041696 143.7
[M]+ 196.06648142 142.0
[M]- 196.06757858 142.0
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.