CID 64210938

3-bromo-1-(4-methoxyphenyl)piperidin-2-one

Structural Information

Molecular Formula
C12H14BrNO2
SMILES
COC1=CC=C(C=C1)N2CCCC(C2=O)Br
InChI
InChI=1S/C12H14BrNO2/c1-16-10-6-4-9(5-7-10)14-8-2-3-11(13)12(14)15/h4-7,11H,2-3,8H2,1H3
InChIKey
ADDRTFSRBNLONX-UHFFFAOYSA-N
Compound name
3-bromo-1-(4-methoxyphenyl)piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.02078 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.02806 154.6
[M+Na]+ 306.01000 158.4
[M+NH4]+ 301.05460 159.3
[M+K]+ 321.98394 157.7
[M-H]- 282.01350 156.4
[M+Na-2H]- 303.99545 158.4
[M]+ 283.02023 154.5
[M]- 283.02133 154.5
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.