CID 135483582

Isoquinolin-6-ol

Structural Information

Molecular Formula
C9H7NO
SMILES
C1=CC2=C(C=CN=C2)C=C1O
InChI
InChI=1S/C9H7NO/c11-9-2-1-8-6-10-4-3-7(8)5-9/h1-6,11H
InChIKey
GPVPDRHTRGTSIH-UHFFFAOYSA-N
Compound name
isoquinolin-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

658
Patents

145.05276 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.060036 125.7
[M+Na]+ 168.041978 135.2
[M-H]- 144.045484 128.0
[M+NH4]+ 163.086583 146.4
[M+K]+ 184.015918 131.9
[M+H-H2O]+ 128.050020 119.6
[M+HCOO]- 190.050961 147.7
[M+CH3COO]- 204.066611 139.8
[M+Na-2H]- 166.027426 136.2
[M]+ 145.05221142 124.9
[M]- 145.05330858 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