CID 64208934

3-bromo-1-(3-methylphenyl)piperidin-2-one

Structural Information

Molecular Formula
C12H14BrNO
SMILES
CC1=CC(=CC=C1)N2CCCC(C2=O)Br
InChI
InChI=1S/C12H14BrNO/c1-9-4-2-5-10(8-9)14-7-3-6-11(13)12(14)15/h2,4-5,8,11H,3,6-7H2,1H3
InChIKey
COZMGTIIQARTMF-UHFFFAOYSA-N
Compound name
3-bromo-1-(3-methylphenyl)piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.02588 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.03316 151.9
[M+Na]+ 290.01510 162.3
[M-H]- 266.01860 159.5
[M+NH4]+ 285.05970 170.9
[M+K]+ 305.98904 150.9
[M+H-H2O]+ 250.02314 151.0
[M+HCOO]- 312.02408 169.5
[M+CH3COO]- 326.03973 194.0
[M+Na-2H]- 288.00055 156.9
[M]+ 267.02533 167.3
[M]- 267.02643 167.3
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.