CID 15908314

22245-98-3

Structural Information

Molecular Formula
C9H9NO2
SMILES
C1CNC(=O)C2=C1C=C(C=C2)O
InChI
InChI=1S/C9H9NO2/c11-7-1-2-8-6(5-7)3-4-10-9(8)12/h1-2,5,11H,3-4H2,(H,10,12)
InChIKey
TYNQFYSVGOMKOS-UHFFFAOYSA-N
Compound name
6-hydroxy-3,4-dihydro-2H-isoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
Patents

163.06332 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 132.3
[M+Na]+ 186.05254 145.0
[M+NH4]+ 181.09714 140.8
[M+K]+ 202.02648 138.9
[M-H]- 162.05604 133.5
[M+Na-2H]- 184.03799 137.7
[M]+ 163.06277 134.2
[M]- 163.06387 134.2
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