CID 53399164

135329-20-3

Structural Information

Molecular Formula
C9H9NO2
SMILES
C1CNC(=O)C2=C1C=CC=C2O
InChI
InChI=1S/C9H9NO2/c11-7-3-1-2-6-4-5-10-9(12)8(6)7/h1-3,11H,4-5H2,(H,10,12)
InChIKey
GXVQMSXDTPRITK-UHFFFAOYSA-N
Compound name
8-hydroxy-3,4-dihydro-2H-isoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

163.06332 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 131.5
[M+Na]+ 186.05254 139.6
[M-H]- 162.05604 132.1
[M+NH4]+ 181.09714 150.7
[M+K]+ 202.02648 135.9
[M+H-H2O]+ 146.06058 125.8
[M+HCOO]- 208.06152 149.5
[M+CH3COO]- 222.07717 172.4
[M+Na-2H]- 184.03799 138.8
[M]+ 163.06277 127.2
[M]- 163.06387 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

No literature data available for this compound.

Patent stripe

patents stripe