CID 3025143

Pyridine, 3-((benzylthio)methyl)-

Structural Information

Molecular Formula
C13H13NS
SMILES
C1=CC=C(C=C1)CSCC2=CN=CC=C2
InChI
InChI=1S/C13H13NS/c1-2-5-12(6-3-1)10-15-11-13-7-4-8-14-9-13/h1-9H,10-11H2
InChIKey
GOSLSLYNKCYNDL-UHFFFAOYSA-N
Compound name
3-(benzylsulfanylmethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.07687 Da
Monoisotopic Mass

2.8
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.