CID 3077492

4-(2-methylthioethyl)pyridine

Structural Information

Molecular Formula
C8H11NS
SMILES
CSCCC1=CC=NC=C1
InChI
InChI=1S/C8H11NS/c1-10-7-4-8-2-5-9-6-3-8/h2-3,5-6H,4,7H2,1H3
InChIKey
GYTOAHURFFSZJP-UHFFFAOYSA-N
Compound name
4-(2-methylsulfanylethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

153.06122 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.068496 129.1
[M+Na]+ 176.050438 137.4
[M-H]- 152.053944 131.6
[M+NH4]+ 171.095043 149.7
[M+K]+ 192.024378 134.8
[M+H-H2O]+ 136.058480 122.9
[M+HCOO]- 198.059421 147.6
[M+CH3COO]- 212.075071 175.0
[M+Na-2H]- 174.035886 134.4
[M]+ 153.06067142 131.4
[M]- 153.06176858 131.4
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