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 150.6
[M+Na]+ 247.08755 156.2
[M-H]- 223.09105 151.9
[M+NH4]+ 242.13215 167.2
[M+K]+ 263.06149 152.9
[M+H-H2O]+ 207.09559 143.2
[M+HCOO]- 269.09653 166.6
[M+CH3COO]- 283.11218 190.7
[M+Na-2H]- 245.07300 151.6
[M]+ 224.09778 151.5
[M]- 224.09888 151.5
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.