CID 494144

4-mercapto-1lambda(5)-quinolin-1-ol

Structural Information

Molecular Formula
C9H7NOS
SMILES
C1=CC=C2C(=C1)C(=S)C=CN2O
InChI
InChI=1S/C9H7NOS/c11-10-6-5-9(12)7-3-1-2-4-8(7)10/h1-6,11H
InChIKey
PKFNVBQOFIFSHV-UHFFFAOYSA-N
Compound name
1-hydroxyquinoline-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

177.02484 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.03212 131.0
[M+Na]+ 200.01406 142.0
[M-H]- 176.01756 133.9
[M+NH4]+ 195.05866 151.4
[M+K]+ 215.98800 137.3
[M+H-H2O]+ 160.02210 125.5
[M+HCOO]- 222.02304 148.1
[M+CH3COO]- 236.03869 144.9
[M+Na-2H]- 197.99951 137.7
[M]+ 177.02429 132.3
[M]- 177.02539 132.3
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

patents stripe