CID 135755324

Quinoline-5-thiol

Structural Information

Molecular Formula
C9H7NS
SMILES
C1=CC2=C(C=CC=N2)C(=C1)S
InChI
InChI=1S/C9H7NS/c11-9-5-1-4-8-7(9)3-2-6-10-8/h1-6,11H
InChIKey
XAXWWYIMGUQNMY-UHFFFAOYSA-N
Compound name
quinoline-5-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

66
Patents

161.02992 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.037196 127.5
[M+Na]+ 184.019138 137.9
[M-H]- 160.022644 131.4
[M+NH4]+ 179.063743 149.0
[M+K]+ 199.993078 134.3
[M+H-H2O]+ 144.027180 121.6
[M+HCOO]- 206.028121 145.7
[M+CH3COO]- 220.043771 141.9
[M+Na-2H]- 182.004586 135.3
[M]+ 161.02937142 129.5
[M]- 161.03046858 129.5
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