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 164.8
[M-H]- 282.01350 162.2
[M+NH4]+ 301.05460 173.0
[M+K]+ 321.98394 154.0
[M+H-H2O]+ 266.01804 153.5
[M+HCOO]- 328.01898 172.4
[M+CH3COO]- 342.03463 195.9
[M+Na-2H]- 303.99545 159.7
[M]+ 283.02023 171.4
[M]- 283.02133 171.4
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.