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]+ 197.07431 141.8
[M+Na]+ 219.05625 148.2
[M-H]- 195.05975 143.4
[M+NH4]+ 214.10085 159.5
[M+K]+ 235.03019 145.4
[M+H-H2O]+ 179.06429 134.8
[M+HCOO]- 241.06523 158.4
[M+CH3COO]- 255.08088 184.7
[M+Na-2H]- 217.04170 143.7
[M]+ 196.06648 142.0
[M]- 196.06758 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.