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

19141
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 124.9
[M+Na]+ 168.04198 134.7
[M-H]- 144.04548 127.2
[M+NH4]+ 163.08658 145.5
[M+K]+ 184.01592 130.8
[M+H-H2O]+ 128.05002 118.9
[M+HCOO]- 190.05096 147.1
[M+CH3COO]- 204.06661 139.0
[M+Na-2H]- 166.02743 135.4
[M]+ 145.05221 123.4
[M]- 145.05331 123.4
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