CID 208400

2-allyl-2-(2-pyridyl)thioacetamide hydrochloride

Structural Information

Molecular Formula
C10H12N2OS
SMILES
C=CCSC(C1=CC=CC=N1)C(=O)N
InChI
InChI=1S/C10H12N2OS/c1-2-7-14-9(10(11)13)8-5-3-4-6-12-8/h2-6,9H,1,7H2,(H2,11,13)
InChIKey
AKZVNWOMSWXGCO-UHFFFAOYSA-N
Compound name
2-prop-2-enylsulfanyl-2-pyridin-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.06703 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.07431 145.6
[M+Na]+ 231.05625 155.8
[M+NH4]+ 226.10085 153.0
[M+K]+ 247.03019 148.3
[M-H]- 207.05975 146.9
[M+Na-2H]- 229.04170 150.6
[M]+ 208.06648 147.6
[M]- 208.06758 147.6
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.