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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.