CID 6421276

41661-55-6

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

C1CN(CCC1=O)CC2=CC=CO2

InChI

InChI=1S/C10H13NO2/c12-9-3-5-11(6-4-9)8-10-2-1-7-13-10/h1-2,7H,3-6,8H2

InChIKey

HPGJGAKKRDVUJA-UHFFFAOYSA-N

Compound name

1-(furan-2-ylmethyl)piperidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 179.09464 Da
Monoisotopic Mass: 0.3
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]+	180.10192	138.9
[M+Na]+	202.08386	150.5
[M+NH4]+	197.12846	147.4
[M+K]+	218.05780	146.3
[M-H]-	178.08736	142.9
[M+Na-2H]-	200.06931	144.8
[M]+	179.09409	141.5
[M]-	179.09519	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe