CID 135574542

Isoquinoline-6,7-diol hydrate hydrobromide

Structural Information

Molecular Formula
C9H7NO2
SMILES
C1=CN=CC2=CC(=C(C=C21)O)O
InChI
InChI=1S/C9H7NO2/c11-8-3-6-1-2-10-5-7(6)4-9(8)12/h1-5,11-12H
InChIKey
LOIDKAGDLUKYNE-UHFFFAOYSA-N
Compound name
isoquinoline-6,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

86
Patents

161.04768 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.054956 129.5
[M+Na]+ 184.036898 139.4
[M-H]- 160.040404 130.8
[M+NH4]+ 179.081503 149.0
[M+K]+ 200.010838 135.8
[M+H-H2O]+ 144.044940 123.7
[M+HCOO]- 206.045881 150.2
[M+CH3COO]- 220.061531 143.1
[M+Na-2H]- 182.022346 138.8
[M]+ 161.04713142 128.7
[M]- 161.04822858 128.7
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