CID 801481

84966-28-9

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

C1CCN(C1)C2=CC=C(O2)C=O

InChI

InChI=1S/C9H11NO2/c11-7-8-3-4-9(12-8)10-5-1-2-6-10/h3-4,7H,1-2,5-6H2

InChIKey

TZLGFEAULCWLDT-UHFFFAOYSA-N

Compound name

5-pyrrolidin-1-ylfuran-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 165.07898 Da
Monoisotopic Mass: 1.7
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]+	166.086256	133.2
[M+Na]+	188.068198	140.9
[M-H]-	164.071704	139.2
[M+NH4]+	183.112803	154.4
[M+K]+	204.042138	140.6
[M+H-H2O]+	148.076240	127.1
[M+HCOO]-	210.077181	156.3
[M+CH3COO]-	224.092831	175.0
[M+Na-2H]-	186.053646	137.0
[M]+	165.07843142	132.9
[M]-	165.07952858	132.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.