CID 119031487

1-(6-bromo-1,2,3,4-tetrahydroquinolin-1-yl)-2,2-dimethylpropan-1-one

Structural Information

Molecular Formula
C14H18BrNO
SMILES
CC(C)(C)C(=O)N1CCCC2=C1C=CC(=C2)Br
InChI
InChI=1S/C14H18BrNO/c1-14(2,3)13(17)16-8-4-5-10-9-11(15)6-7-12(10)16/h6-7,9H,4-5,8H2,1-3H3
InChIKey
XLOWTROUAQKNST-UHFFFAOYSA-N
Compound name
1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.0572 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.06448 163.1
[M+Na]+ 318.04642 173.1
[M-H]- 294.04992 168.5
[M+NH4]+ 313.09102 182.3
[M+K]+ 334.02036 161.9
[M+H-H2O]+ 278.05446 163.0
[M+HCOO]- 340.05540 177.4
[M+CH3COO]- 354.07105 199.8
[M+Na-2H]- 316.03187 168.8
[M]+ 295.05665 180.2
[M]- 295.05775 180.2
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

No patent data available for this compound.