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

1
Patents

187.04558 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.052856 135.7
[M+Na]+ 210.034798 145.5
[M-H]- 186.038304 139.3
[M+NH4]+ 205.079403 156.1
[M+K]+ 226.008738 140.8
[M+H-H2O]+ 170.042840 129.5
[M+HCOO]- 232.043781 153.5
[M+CH3COO]- 246.059431 149.3
[M+Na-2H]- 208.020246 142.4
[M]+ 187.04503142 137.7
[M]- 187.04612858 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

patents stripe