CID 601613

5-(piperidin-1-yl)furan-2-carbaldehyde

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

C1CCN(CC1)C2=CC=C(O2)C=O

InChI

InChI=1S/C10H13NO2/c12-8-9-4-5-10(13-9)11-6-2-1-3-7-11/h4-5,8H,1-3,6-7H2

InChIKey

UEIBBOBGTJMFRM-UHFFFAOYSA-N

Compound name

5-piperidin-1-ylfuran-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 64
Patents: 179.09464 Da
Monoisotopic Mass: 2.1
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]+	180.101916	137.4
[M+Na]+	202.083858	143.8
[M-H]-	178.087364	142.8
[M+NH4]+	197.128463	156.2
[M+K]+	218.057798	143.1
[M+H-H2O]+	162.091900	130.5
[M+HCOO]-	224.092841	158.0
[M+CH3COO]-	238.108491	177.9
[M+Na-2H]-	200.069306	142.2
[M]+	179.09409142	135.2
[M]-	179.09518858	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe