CID 30386

5-hydroxyisoquinoline

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

14
References

1580
Patents

145.05276 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.06004 125.7
[M+Na]+ 168.04198 135.2
[M-H]- 144.04548 128.0
[M+NH4]+ 163.08658 146.4
[M+K]+ 184.01592 131.9
[M+H-H2O]+ 128.05002 119.6
[M+HCOO]- 190.05096 147.7
[M+CH3COO]- 204.06661 139.8
[M+Na-2H]- 166.02743 136.2
[M]+ 145.05221 124.9
[M]- 145.05331 124.9
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