CID 208396

32081-38-2

Structural Information

Molecular Formula
C11H16N2OS
SMILES
CCCCSC(C1=CC=CC=N1)C(=O)N
InChI
InChI=1S/C11H16N2OS/c1-2-3-8-15-10(11(12)14)9-6-4-5-7-13-9/h4-7,10H,2-3,8H2,1H3,(H2,12,14)
InChIKey
RYUYCPJLZLXWBM-UHFFFAOYSA-N
Compound name
2-butylsulfanyl-2-pyridin-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.09833 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.10561 150.4
[M+Na]+ 247.08755 160.3
[M+NH4]+ 242.13215 157.9
[M+K]+ 263.06149 152.7
[M-H]- 223.09105 151.9
[M+Na-2H]- 245.07300 155.3
[M]+ 224.09778 152.4
[M]- 224.09888 152.4
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.