CID 64282662

5-bromo-3-methyl-1,2,3,4-tetrahydroisoquinolin-1-one

Structural Information

Molecular Formula
C10H10BrNO
SMILES
CC1CC2=C(C=CC=C2Br)C(=O)N1
InChI
InChI=1S/C10H10BrNO/c1-6-5-8-7(10(13)12-6)3-2-4-9(8)11/h2-4,6H,5H2,1H3,(H,12,13)
InChIKey
TXSSOAPEHHIASE-UHFFFAOYSA-N
Compound name
5-bromo-3-methyl-3,4-dihydro-2H-isoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.99458 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.00186 142.9
[M+Na]+ 261.98380 147.0
[M+NH4]+ 257.02840 148.2
[M+K]+ 277.95774 146.3
[M-H]- 237.98730 143.5
[M+Na-2H]- 259.96925 145.6
[M]+ 238.99403 142.4
[M]- 238.99513 142.4
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

No patent data available for this compound.