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 135.7
[M+Na]+ 210.03480 145.5
[M-H]- 186.03830 139.3
[M+NH4]+ 205.07940 156.1
[M+K]+ 226.00874 140.8
[M+H-H2O]+ 170.04284 129.5
[M+HCOO]- 232.04378 153.5
[M+CH3COO]- 246.05943 149.3
[M+Na-2H]- 208.02025 142.4
[M]+ 187.04503 137.7
[M]- 187.04613 137.7
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

No patent data available for this compound.