CID 459767

7-hydroxyisoquinoline

Structural Information

Molecular Formula
C9H7NO
SMILES
C1=CC(=CC2=C1C=CN=C2)O
InChI
InChI=1S/C9H7NO/c11-9-2-1-7-3-4-10-6-8(7)5-9/h1-6,11H
InChIKey
WCRKBMABEPCYII-UHFFFAOYSA-N
Compound name
isoquinolin-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1090
Patents

145.05276 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.06004 126.4
[M+Na]+ 168.04198 141.7
[M+NH4]+ 163.08658 136.4
[M+K]+ 184.01592 134.2
[M-H]- 144.04548 129.3
[M+Na-2H]- 166.02743 135.2
[M]+ 145.05221 129.5
[M]- 145.05331 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