CID 4469044

3-bromo-1-(piperidin-1-yl)propan-1-one

Structural Information

Molecular Formula
C8H14BrNO
SMILES
C1CCN(CC1)C(=O)CCBr
InChI
InChI=1S/C8H14BrNO/c9-5-4-8(11)10-6-2-1-3-7-10/h1-7H2
InChIKey
QLCFKORONJMTNL-UHFFFAOYSA-N
Compound name
3-bromo-1-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

219.02588 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.03316 142.7
[M+Na]+ 242.01510 150.9
[M-H]- 218.01860 146.6
[M+NH4]+ 237.05970 163.2
[M+K]+ 257.98904 141.1
[M+H-H2O]+ 202.02314 142.4
[M+HCOO]- 264.02408 159.2
[M+CH3COO]- 278.03973 183.9
[M+Na-2H]- 240.00055 148.3
[M]+ 219.02533 157.4
[M]- 219.02643 157.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe