CID 90684366

2-hydroxyisoquinoline-1(2h)-thione

Structural Information

Molecular Formula
C9H7NOS
SMILES
C1=CC=C2C(=C1)C=CN(C2=S)O
InChI
InChI=1S/C9H7NOS/c11-10-6-5-7-3-1-2-4-8(7)9(10)12/h1-6,11H
InChIKey
RTPXYUZLLYULJQ-UHFFFAOYSA-N
Compound name
2-hydroxyisoquinoline-1-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

177.02484 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.03212 132.6
[M+Na]+ 200.01406 147.7
[M+NH4]+ 195.05866 142.6
[M+K]+ 215.98800 138.3
[M-H]- 176.01756 135.5
[M+Na-2H]- 197.99951 140.1
[M]+ 177.02429 136.2
[M]- 177.02539 136.2
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

No patent data available for this compound.