CID 265118

40279-26-3

Structural Information

Molecular Formula
C10H9NS
SMILES
CSC1=NC2=CC=CC=C2C=C1
InChI
InChI=1S/C10H9NS/c1-12-10-7-6-8-4-2-3-5-9(8)11-10/h2-7H,1H3
InChIKey
NINCMKJQHKDMPH-UHFFFAOYSA-N
Compound name
2-methylsulfanylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

76
Patents

175.04558 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.05286 132.0
[M+Na]+ 198.03480 142.0
[M-H]- 174.03830 135.8
[M+NH4]+ 193.07940 153.0
[M+K]+ 214.00874 138.2
[M+H-H2O]+ 158.04284 125.9
[M+HCOO]- 220.04378 149.9
[M+CH3COO]- 234.05943 146.0
[M+Na-2H]- 196.02025 139.3
[M]+ 175.04503 134.4
[M]- 175.04613 134.4
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