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]+ 178.032116 131.0
[M+Na]+ 200.014058 142.0
[M-H]- 176.017564 133.9
[M+NH4]+ 195.058663 151.4
[M+K]+ 215.987998 137.3
[M+H-H2O]+ 160.022100 125.5
[M+HCOO]- 222.023041 148.1
[M+CH3COO]- 236.038691 144.9
[M+Na-2H]- 197.999506 137.7
[M]+ 177.02429142 132.3
[M]- 177.02538858 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

No patent data available for this compound.