CID 10284

1-hydroxyisoquinoline

Structural Information

Molecular Formula
C9H7NO
SMILES
C1=CC=C2C(=C1)C=CNC2=O
InChI
InChI=1S/C9H7NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-6H,(H,10,11)
InChIKey
VDBNYAPERZTOOF-UHFFFAOYSA-N
Compound name
2H-isoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

88
References

17084
Patents

145.05276 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.06004 126.0
[M+Na]+ 168.04198 141.3
[M+NH4]+ 163.08658 135.7
[M+K]+ 184.01592 133.8
[M-H]- 144.04548 128.7
[M+Na-2H]- 166.02743 134.7
[M]+ 145.05221 129.0
[M]- 145.05331 129.0
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