CID 722350

4437-65-4

Structural Information

Molecular Formula
C10H9NS
SMILES
CC1=CC(=S)NC2=CC=CC=C12
InChI
InChI=1S/C10H9NS/c1-7-6-10(12)11-9-5-3-2-4-8(7)9/h2-6H,1H3,(H,11,12)
InChIKey
OJOPTXKXKPMMGC-UHFFFAOYSA-N
Compound name
4-methyl-1H-quinoline-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

38
Patents

175.04558 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.05286 133.6
[M+Na]+ 198.03480 148.9
[M+NH4]+ 193.07940 143.9
[M+K]+ 214.00874 138.8
[M-H]- 174.03830 136.9
[M+Na-2H]- 196.02025 141.3
[M]+ 175.04503 137.4
[M]- 175.04613 137.4
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