CID 64237246

3-bromo-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-2-one

Structural Information

Molecular Formula
C15H18BrNO
SMILES
C1CC(C2=CC=CC=C2C1)N3CCCC(C3=O)Br
InChI
InChI=1S/C15H18BrNO/c16-13-8-4-10-17(15(13)18)14-9-3-6-11-5-1-2-7-12(11)14/h1-2,5,7,13-14H,3-4,6,8-10H2
InChIKey
BZZMEQGCELHUMZ-UHFFFAOYSA-N
Compound name
3-bromo-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.0572 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.06448 165.8
[M+Na]+ 330.04642 173.9
[M-H]- 306.04992 173.1
[M+NH4]+ 325.09102 183.7
[M+K]+ 346.02036 162.2
[M+H-H2O]+ 290.05446 164.3
[M+HCOO]- 352.05540 179.3
[M+CH3COO]- 366.07105 177.7
[M+Na-2H]- 328.03187 169.8
[M]+ 307.05665 178.1
[M]- 307.05775 178.1
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.