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 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

literature stripe

Patent stripe

patents stripe