CID 3042205

8-(vinylthio)quinoline

Structural Information

Molecular Formula
C11H9NS
SMILES
C=CSC1=CC=CC2=C1N=CC=C2
InChI
InChI=1S/C11H9NS/c1-2-13-10-7-3-5-9-6-4-8-12-11(9)10/h2-8H,1H2
InChIKey
WJIHYQHEPPLQJF-UHFFFAOYSA-N
Compound name
8-ethenylsulfanylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.04558 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.05286 137.3
[M+Na]+ 210.03480 152.7
[M+NH4]+ 205.07940 147.9
[M+K]+ 226.00874 141.8
[M-H]- 186.03830 141.1
[M+Na-2H]- 208.02025 145.7
[M]+ 187.04503 141.3
[M]- 187.04613 141.3
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

No patent data available for this compound.