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]+ 209.074306 145.3
[M+Na]+ 231.056248 151.6
[M-H]- 207.059754 146.8
[M+NH4]+ 226.100853 162.5
[M+K]+ 247.030188 148.0
[M+H-H2O]+ 191.064290 138.2
[M+HCOO]- 253.065231 161.8
[M+CH3COO]- 267.080881 186.9
[M+Na-2H]- 229.041696 146.8
[M]+ 208.06648142 145.2
[M]- 208.06757858 145.2
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.