CID 2058447

Pyridine, 4-(2-((2-methylpropyl)thio)ethyl)-

Structural Information

Molecular Formula
C11H17NS
SMILES
CC(C)CSCCC1=CC=NC=C1
InChI
InChI=1S/C11H17NS/c1-10(2)9-13-8-5-11-3-6-12-7-4-11/h3-4,6-7,10H,5,8-9H2,1-2H3
InChIKey
NOCABUAKIJAWEH-UHFFFAOYSA-N
Compound name
4-[2-(2-methylpropylsulfanyl)ethyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

195.10817 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.115446 143.0
[M+Na]+ 218.097388 149.7
[M-H]- 194.100894 145.0
[M+NH4]+ 213.141993 161.8
[M+K]+ 234.071328 146.7
[M+H-H2O]+ 178.105430 136.2
[M+HCOO]- 240.106371 159.4
[M+CH3COO]- 254.122021 184.8
[M+Na-2H]- 216.082836 145.6
[M]+ 195.10762142 145.7
[M]- 195.10871858 145.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe