CID 82279668

8-bromo-2-methyl-3,4-dihydroisoquinolin-1(2h)-one

Structural Information

Molecular Formula
C10H10BrNO
SMILES
CN1CCC2=C(C1=O)C(=CC=C2)Br
InChI
InChI=1S/C10H10BrNO/c1-12-6-5-7-3-2-4-8(11)9(7)10(12)13/h2-4H,5-6H2,1H3
InChIKey
AEJLEPMIWNHJSN-UHFFFAOYSA-N
Compound name
8-bromo-2-methyl-3,4-dihydroisoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.99458 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.00186 141.9
[M+Na]+ 261.98380 146.5
[M+NH4]+ 257.02840 147.6
[M+K]+ 277.95774 145.6
[M-H]- 237.98730 143.0
[M+Na-2H]- 259.96925 145.2
[M]+ 238.99403 141.7
[M]- 238.99513 141.7
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.