CID 43463914

2230800-24-3

Structural Information

Molecular Formula

C₁₁H₁₁NO

SMILES

C1=CC=C(C=C1)C(C2=COC=C2)N

InChI

InChI=1S/C11H11NO/c12-11(10-6-7-13-8-10)9-4-2-1-3-5-9/h1-8,11H,12H2

InChIKey

LCVVSTSZQSMUOK-UHFFFAOYSA-N

Compound name

furan-3-yl(phenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 173.08406 Da
Monoisotopic Mass: 1.5
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]+	174.091336	136.2
[M+Na]+	196.073278	143.0
[M-H]-	172.076784	143.2
[M+NH4]+	191.117883	156.0
[M+K]+	212.047218	141.5
[M+H-H2O]+	156.081320	129.7
[M+HCOO]-	218.082261	161.1
[M+CH3COO]-	232.097911	179.9
[M+Na-2H]-	194.058726	142.4
[M]+	173.08351142	134.7
[M]-	173.08460858	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.