CID 63392794

1082844-32-3

Structural Information

Molecular Formula

C₈H₁₄ClNO

SMILES

CC(=O)N1CCCC(C1)CCl

InChI

InChI=1S/C8H14ClNO/c1-7(11)10-4-2-3-8(5-9)6-10/h8H,2-6H2,1H3

InChIKey

GOEYLNUZBUKEDI-UHFFFAOYSA-N

Compound name

1-[3-(chloromethyl)piperidin-1-yl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 175.07639 Da
Monoisotopic Mass: 1.1
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]+	176.083666	137.1
[M+Na]+	198.065608	143.6
[M-H]-	174.069114	138.5
[M+NH4]+	193.110213	156.8
[M+K]+	214.039548	141.0
[M+H-H2O]+	158.073650	131.7
[M+HCOO]-	220.074591	151.2
[M+CH3COO]-	234.090241	178.3
[M+Na-2H]-	196.051056	140.5
[M]+	175.07584142	135.1
[M]-	175.07693858	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.