CID 6421276

1-[(furan-2-yl)methyl]piperidin-4-one

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: 9
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	137.4
[M+Na]+	202.08386	143.8
[M-H]-	178.08736	142.8
[M+NH4]+	197.12846	156.2
[M+K]+	218.05780	143.1
[M+H-H2O]+	162.09190	130.5
[M+HCOO]-	224.09284	158.0
[M+CH3COO]-	238.10849	177.9
[M+Na-2H]-	200.06931	142.2
[M]+	179.09409	135.2
[M]-	179.09519	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe