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]+ 225.105606 150.6
[M+Na]+ 247.087548 156.2
[M-H]- 223.091054 151.9
[M+NH4]+ 242.132153 167.2
[M+K]+ 263.061488 152.9
[M+H-H2O]+ 207.095590 143.2
[M+HCOO]- 269.096531 166.6
[M+CH3COO]- 283.112181 190.7
[M+Na-2H]- 245.072996 151.6
[M]+ 224.09778142 151.5
[M]- 224.09887858 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.