CID 557214

18240-50-1

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

C1=COC(=C1)CNCC2=CC=CO2

InChI

InChI=1S/C10H11NO2/c1-3-9(12-5-1)7-11-8-10-4-2-6-13-10/h1-6,11H,7-8H2

InChIKey

LGTHRBXRBOVOKE-UHFFFAOYSA-N

Compound name

1-(furan-2-yl)-N-(furan-2-ylmethyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 209
Patents: 177.07898 Da
Monoisotopic Mass: 1.0
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]+	178.08626	135.6
[M+Na]+	200.06820	147.8
[M+NH4]+	195.11280	144.4
[M+K]+	216.04214	145.5
[M-H]-	176.07170	142.0
[M+Na-2H]-	198.05365	143.3
[M]+	177.07843	139.1
[M]-	177.07953	139.1

Literature stripe

literature stripe

Patent stripe

patents stripe