CID 28348097

912482-43-0

Structural Information

Molecular Formula

C₈H₁₄BrNO

SMILES

CC(=O)N1CCC(CC1)CBr

InChI

InChI=1S/C8H14BrNO/c1-7(11)10-4-2-8(6-9)3-5-10/h8H,2-6H2,1H3

InChIKey

VYMGDPNTLNUOHM-UHFFFAOYSA-N

Compound name

1-[4-(bromomethyl)piperidin-1-yl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 219.02588 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	220.03316	142.0
[M+Na]+	242.01510	151.1
[M-H]-	218.01860	146.3
[M+NH4]+	237.05970	162.8
[M+K]+	257.98904	141.3
[M+H-H2O]+	202.02314	141.9
[M+HCOO]-	264.02408	158.5
[M+CH3COO]-	278.03973	184.9
[M+Na-2H]-	240.00055	147.0
[M]+	219.02533	157.0
[M]-	219.02643	157.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe