CID 741419

1-methylquinoline-2(1h)-thione

Structural Information

Molecular Formula
C10H9NS
SMILES
CN1C(=S)C=CC2=CC=CC=C21
InChI
InChI=1S/C10H9NS/c1-11-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3
InChIKey
PBRBGUUOYSTUHP-UHFFFAOYSA-N
Compound name
1-methylquinoline-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

168
Patents

175.04558 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.05286 133.4
[M+Na]+ 198.03480 149.3
[M+NH4]+ 193.07940 144.1
[M+K]+ 214.00874 138.8
[M-H]- 174.03830 137.3
[M+Na-2H]- 196.02025 141.7
[M]+ 175.04503 137.5
[M]- 175.04613 137.5
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