CID 59463814

860368-23-6

Structural Information

Molecular Formula
C9H10BrNO
SMILES
C1CCC2=C(C1)C(=CNC2=O)Br
InChI
InChI=1S/C9H10BrNO/c10-8-5-11-9(12)7-4-2-1-3-6(7)8/h5H,1-4H2,(H,11,12)
InChIKey
NPTZFIQKKHWANG-UHFFFAOYSA-N
Compound name
4-bromo-5,6,7,8-tetrahydro-2H-isoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

226.99458 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.00186 139.1
[M+Na]+ 249.98380 143.1
[M+NH4]+ 245.02840 144.6
[M+K]+ 265.95774 142.4
[M-H]- 225.98730 139.7
[M+Na-2H]- 247.96925 142.2
[M]+ 226.99403 138.6
[M]- 226.99513 138.6
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