CID 88779

Pyridine, 4-(2-(phenylthio)ethyl)-, hydrochloride

Structural Information

Molecular Formula
C13H13NS
SMILES
C1=CC=C(C=C1)SCCC2=CC=NC=C2
InChI
InChI=1S/C13H13NS/c1-2-4-13(5-3-1)15-11-8-12-6-9-14-10-7-12/h1-7,9-10H,8,11H2
InChIKey
XFLNVXUSNWPNOC-UHFFFAOYSA-N
Compound name
4-(2-phenylsulfanylethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

5
Patents

215.07687 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.08415 145.0
[M+Na]+ 238.06609 152.8
[M-H]- 214.06959 150.3
[M+NH4]+ 233.11069 162.7
[M+K]+ 254.04003 148.0
[M+H-H2O]+ 198.07413 137.4
[M+HCOO]- 260.07507 163.5
[M+CH3COO]- 274.09072 157.6
[M+Na-2H]- 236.05154 150.6
[M]+ 215.07632 146.5
[M]- 215.07742 146.5
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