CID 1340

1,5-isoquinolinediol

Structural Information

Molecular Formula
C9H7NO2
SMILES
C1=CC2=C(C=CNC2=O)C(=C1)O
InChI
InChI=1S/C9H7NO2/c11-8-3-1-2-7-6(8)4-5-10-9(7)12/h1-5,11H,(H,10,12)
InChIKey
LFUJIPVWTMGYDG-UHFFFAOYSA-N
Compound name
5-hydroxy-2H-isoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

86
References

1250
Patents

161.04768 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.05496 128.7
[M+Na]+ 184.03690 138.9
[M-H]- 160.04040 130.0
[M+NH4]+ 179.08150 148.2
[M+K]+ 200.01084 134.7
[M+H-H2O]+ 144.04494 123.0
[M+HCOO]- 206.04588 149.5
[M+CH3COO]- 220.06153 171.8
[M+Na-2H]- 182.02235 138.0
[M]+ 161.04713 127.2
[M]- 161.04823 127.2
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